CAS RN: 28374-93-8
CAS Name: (E)-3-(3,5-dihydroxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,5-bis(oxidanyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=C(C=C(C=C1O)O)/C=C/C(=O)O
Structure:
CAS RN: 11032-28-3
CAS Name: (E)-3-phenyl-2-propenoic acid [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester
OPENEYE Name: [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(3S,9R,10R,12R,13R,14R,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-3,8,14,17-tetrakis(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C30H40O7
MOLECULAR WEIGHT: 512.6344
SMILES: CC([C@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3C2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)/C=C/C5=CC=CC=C5)C)O)O)O
Structure:
CAS RN: 27526-87-0
CAS Name: (E)-3-phenyl-2-propenoic acid [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester
OPENEYE Name: [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(3S,9R,10R,12R,13R,14R,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-3,8,14,17-tetrakis(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C30H40O7
MOLECULAR WEIGHT: 512.6344
SMILES: CC([C@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3C2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)/C=C/C5=CC=CC=C5)C)O)O)O
Structure:
CAS RN: 40062-65-5
CAS Name: (E)-3-phenyl-2-propenoic acid [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] ester
OPENEYE Name: [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(3S,9R,10R,12R,13R,14R,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-3,8,14,17-tetrakis(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C30H40O7
MOLECULAR WEIGHT: 512.6344
SMILES: CC([C@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3C2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)/C=C/C5=CC=CC=C5)C)O)O)O
Structure:
CAS RN: 26912-16-3
CAS Name: (E)-N,5-dihydroxy-N-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methyl-1-oxopent-2-enyl]amino]propyl]-3,6-dioxo-2-piperazinyl]propyl]-3-methyl-2-pentenamide
OPENEYE Name: (E)-N,5-dihydroxy-N-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methyl-pent-2-enoyl]amino]propyl]-3,6-dioxo-piperazin-2-yl]propyl]-3-methyl-pent-2-enamide
IUPAC Name: (E)-N,5-dihydroxy-N-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide
SYSTEMATIC NAME: (E)-3-methyl-N-[3-[5-[3-[[(E)-3-methyl-5-oxidanyl-pent-2-enoyl]-oxidanyl-amino]propyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl]-N,5-bis(oxidanyl)pent-2-enamide
MOLECULAR FORMULA: C22H36N4O8
MOLECULAR WEIGHT: 484.54324
SMILES: C/C(=C\C(=O)N(O)CCCC1NC(=O)C(NC1=O)CCCN(O)C(=O)/C=C(/CCO)\C)/CCO
Structure:
CAS RN: 26474-40-8
CAS Name: (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenoic acid methyl ester
OPENEYE Name: methyl (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenoate
IUPAC Name: methyl (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenoate
SYSTEMATIC NAME: methyl (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenoate
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: CC/C=C/C=C/C=C\C=C/CCCCCCCC(=O)OC
Structure:
CAS RN: 24330-90-3
CAS Name: (Z)-13-docosenethioic acid S-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (Z)-docos-13-enethioate
IUPAC Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-docos-13-enethioate
SYSTEMATIC NAME: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (Z)-docos-13-enethioate
MOLECULAR FORMULA: C43H76N7O17P3S
MOLECULAR WEIGHT: 1088.086523
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 18097-67-1
CAS Name: 3-[(2E,5E)-2-[[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(3Z)-3-ethylidene-4-methyl-5-oxo-2-pyrrolyl]methylidene]-4-methyl-3-pyrrolyl]propanoic acid
OPENEYE Name: 3-[(2E,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methylene]-5-[[(3Z)-3-ethylidene-4-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-pyrrol-3-yl]propanoic acid
IUPAC Name: 3-[(2E,5E)-2-[[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(3Z)-3-ethylidene-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2E,5E)-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(3Z)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-3-yl]propanoic acid
MOLECULAR FORMULA: C33H38N4O6
MOLECULAR WEIGHT: 586.67802
SMILES: C/C=C\1/C(C(=O)N=C1/C=C/2\C(=C(/C(=C\C3=C(C(=C(N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/N2)CCC(=O)O)C)C
Structure:
CAS RN: 17283-91-9
CAS Name: (Z)-N-[(E,3R)-3-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]-15-tetracosenamide
OPENEYE Name: (Z)-N-[(E,2R)-2-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]tetracos-15-enamide
IUPAC Name: (Z)-N-[(E,3R)-3-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracos-15-enamide
SYSTEMATIC NAME: (Z)-N-[(E,3R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]tetracos-15-enamide
MOLECULAR FORMULA: C48H91NO8
MOLECULAR WEIGHT: 810.23804
SMILES: CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O
Structure:
CAS RN: 11031-56-4
CAS Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[[5-hydroxy-5-(1-hydroxyethyl)-4-methoxy-6-methyl-2-oxanyl]oxy]-5-[(Z)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-3-hydroxy-4-[5-hydroxy-5-(1-hydroxyethyl)-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-5-(1-hydroxyethyl)-4-methoxy-6-methyloxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-4-[5-(1-hydroxyethyl)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C29H38N2O16S
MOLECULAR WEIGHT: 702.68082
SMILES: C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)O)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)\N=C=S
Structure:
CAS RN: 6247-62-7
CAS Name: (E)-2-methyl-2-butenethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-2-methylbut-2-enethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-2-methylbut-2-enethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-2-methylbut-2-enethioate
MOLECULAR FORMULA: C26H42N7O17P3S
MOLECULAR WEIGHT: 849.634663
SMILES: C/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 6004-32-6
CAS Name: (E)-4-oxo-2-pentenedioic acid
OPENEYE Name: (E)-4-oxopent-2-enedioic acid
IUPAC Name: (E)-4-oxopent-2-enedioic acid
SYSTEMATIC NAME: (E)-4-oxidanylidenepent-2-enedioic acid
MOLECULAR FORMULA: C5H4O5
MOLECULAR WEIGHT: 144.08226
SMILES: C(=C/C(=O)O)\C(=O)C(=O)O
Structure:
CAS RN: 3712-16-1
CAS Name: (E)-9-octadecenoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C47H82O2
MOLECULAR WEIGHT: 679.15278
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C
Structure:
CAS RN: 2382-48-1
CAS Name: (2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]-1-benzopyran-6-ol
OPENEYE Name: (2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
IUPAC Name: (2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
SYSTEMATIC NAME: (2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
MOLECULAR FORMULA: C59H90O4
MOLECULAR WEIGHT: 863.3435
SMILES: CC1=C2C=C[C@@](OC2=C(C(=C1O)OC)OC)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 2102-72-9
CAS Name: 3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
OPENEYE Name: 3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
IUPAC Name: 3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
SYSTEMATIC NAME: 5-methoxy-3-oxidanyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
MOLECULAR FORMULA: C24H32O5
MOLECULAR WEIGHT: 400.50788
SMILES: CC(=CCC/C(=C/CC/C(=C/COC1=C(C=C(C(=C1O)C=O)C=O)OC)/C)/C)C
Structure:
CAS RN: 1103-58-8
CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propane-1,3-diol
OPENEYE Name: 1-(4-hydroxy-3-methoxy-phenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]propane-1,3-diol
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propane-1,3-diol
SYSTEMATIC NAME: 1-(3-methoxy-4-oxidanyl-phenyl)-2-[2-methoxy-4-[(E)-3-oxidanylprop-1-enyl]phenoxy]propane-1,3-diol
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: COC1=C(C=CC(=C1)/C=C/CO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O
Structure:
CAS RN: 493-88-9
CAS Name: 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxo-2-pyrrolyl)methylidene]-4-methyl-3-pyrrolyl]propanoic acid
OPENEYE Name: 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methylene]-4-methyl-pyrrol-3-yl]propanoic acid
IUPAC Name: 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2Z,5Z)-2-[[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-3-yl]propanoic acid
MOLECULAR FORMULA: C33H38N4O6
MOLECULAR WEIGHT: 586.67802
SMILES: CCC1=C(C(=NC1=O)/C=C\2/C(=C(/C(=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/N2)CCC(=O)O)C)C
Structure:
CAS RN: 469-06-7
CAS Name: (1R)-3-[(E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methyl-1-cyclohex-3-enol
OPENEYE Name: (1R)-3-[(E)-2-[(1R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,5,6,7-hexahydroinden-4-yl]vinyl]-4-methyl-cyclohex-3-en-1-ol
IUPAC Name: (1R)-3-[(E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
SYSTEMATIC NAME: (1R)-3-[(E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methyl-cyclohex-3-en-1-ol
MOLECULAR FORMULA: C28H44O
MOLECULAR WEIGHT: 396.64836
SMILES: CC1=C(C[C@@H](CC1)O)/C=C/C2=C3CC[C@@H]([C@]3(CCC2)C)[C@H](C)/C=C/[C@H](C)C(C)C
Structure:
CAS RN: 38236-96-3
CAS Name: 1-[(E)-7-ethoxy-3,7-dimethyloct-2-enoxy]-4-ethylbenzene
OPENEYE Name: 1-[(E)-7-ethoxy-3,7-dimethyl-oct-2-enoxy]-4-ethyl-benzene
IUPAC Name: 1-[(E)-7-ethoxy-3,7-dimethyloct-2-enoxy]-4-ethylbenzene
SYSTEMATIC NAME: 1-[(E)-7-ethoxy-3,7-dimethyl-oct-2-enoxy]-4-ethyl-benzene
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CCC1=CC=C(C=C1)OC/C=C(\C)/CCCC(C)(C)OCC
Structure:
CAS RN: 38232-08-5
CAS Name: 2-hydroxy-6-[(E)-2-phenylethenyl]-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid
OPENEYE Name: 2-hydroxy-6-[(E)-styryl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid
IUPAC Name: 2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
SYSTEMATIC NAME: 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-6-[(E)-2-phenylethenyl]benzoic acid
MOLECULAR FORMULA: C21H22O9
MOLECULAR WEIGHT: 418.39398
SMILES: C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 37992-80-6
CAS Name: N-[4-[(E)-2-(methylthio)-2-phenylethenyl]phenyl]acetamide
OPENEYE Name: N-[4-[(E)-2-methylsulfanyl-2-phenyl-vinyl]phenyl]acetamide
IUPAC Name: N-[4-[(E)-2-methylsulfanyl-2-phenylethenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-2-methylsulfanyl-2-phenyl-ethenyl]phenyl]ethanamide
MOLECULAR FORMULA: C17H17NOS
MOLECULAR WEIGHT: 283.38798
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/SC
Structure:
CAS RN: 37530-21-5
CAS Name: (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-pyrrolone
OPENEYE Name: (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]pyrrol-2-one
IUPAC Name: (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one
SYSTEMATIC NAME: (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: CCC1=C(NC(=C1C)/C=C\2/C(=C(C(=O)N2)CC)CC)C
Structure:
CAS RN: 36250-94-9
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] ester
OPENEYE Name: [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC Name: [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: [(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C24H42O7
MOLECULAR WEIGHT: 442.58608
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 35795-65-4
CAS Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
OPENEYE Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] [(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C26H41O9P
MOLECULAR WEIGHT: 528.572101
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COP(=O)(O)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)/C)/C
Structure:
CAS RN: 35339-71-0
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-yloct-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hept-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-yloct-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-yloct-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C
Structure:
CAS RN: 34302-19-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O7
MOLECULAR WEIGHT: 364.38966
SMILES: C/C/1=C/C2[C@@H](C(CC3(C(CC1(O3)O)O)C)OC(=O)C(=C)C)C(=C)C(=O)O2
Structure:
CAS RN: 33406-34-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H27NO4
MOLECULAR WEIGHT: 405.48618
SMILES: CN(C)CC/C=C/C1C2=CC=CC=C2C=CC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 28380-31-6
CAS Name: (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethyl-1-cyclohex-3-enol
OPENEYE Name: (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
IUPAC Name: (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SYSTEMATIC NAME: (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol
MOLECULAR FORMULA: C40H52O2
MOLECULAR WEIGHT: 564.83968
SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#CC2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C
Structure:
CAS RN: 27960-21-0
CAS Name: (E)-3-methyl-2-hexenoic acid
OPENEYE Name: (E)-3-methylhex-2-enoic acid
IUPAC Name: (E)-3-methylhex-2-enoic acid
SYSTEMATIC NAME: (E)-3-methylhex-2-enoic acid
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCC/C(=C/C(=O)O)/C
Structure:
CAS RN: 27747-18-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24ClNO
MOLECULAR WEIGHT: 341.87436
SMILES: CC1=CC=CC\2=C1C=CC3=CC=CC=C3/C2=C\CC[N+](C)(C)[O-].Cl
Structure:
CAS RN: 21494-89-3
CAS Name: 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-2-pyrrolyl]methylidene]-4-methyl-2-pyrrolylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxo-3-pyrrolyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(5E)-5-[[5-[(E)-[(5Z)-5-[[4-(3-methoxy-3-oxo-propyl)-3-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-ylidene]methyl]-4-methyl-3-vinyl-1H-pyrrol-2-yl]methylene]-4-methyl-2-oxo-pyrrol-3-yl]propanoate
IUPAC Name: methyl 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-oxidanylidene-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxidanylidene-pyrrol-3-yl]prop
MOLECULAR FORMULA: C35H38N4O6
MOLECULAR WEIGHT: 610.69942
SMILES: CC\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)/C=C/3\C(=C(/C(=C/C4=NC(=O)C(=C4C)CCC(=O)OC)/N3)C)C=C)C)C=C)CCC(=O)OC
Structure:
CAS RN: 26280-00-2
CAS Name: 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-2-pyrrolyl]methylidene]-4-methyl-2-pyrrolylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxo-3-pyrrolyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(5E)-5-[[5-[(E)-[(5Z)-5-[[4-(3-methoxy-3-oxo-propyl)-3-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-ylidene]methyl]-4-methyl-3-vinyl-1H-pyrrol-2-yl]methylene]-4-methyl-2-oxo-pyrrol-3-yl]propanoate
IUPAC Name: methyl 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-oxidanylidene-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxidanylidene-pyrrol-3-yl]prop
MOLECULAR FORMULA: C35H38N4O6
MOLECULAR WEIGHT: 610.69942
SMILES: CC\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)/C=C/3\C(=C(/C(=C/C4=NC(=O)C(=C4C)CCC(=O)OC)/N3)C)C=C)C)C=C)CCC(=O)OC
Structure:
No comments:
Post a Comment