CAS RN: 109791-92-6
CAS Name: [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
OPENEYE Name: [4-[(E)-2-(4,4-dimethyltetralin-6-yl)prop-1-enyl]phenyl]methanol
IUPAC Name: [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
SYSTEMATIC NAME: [4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
MOLECULAR FORMULA: C22H26O
MOLECULAR WEIGHT: 306.44124
SMILES: C/C(=C\C1=CC=C(C=C1)CO)/C2=CC3=C(CCCC3(C)C)C=C2
Structure:
CAS RN: 109785-20-8
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C30H57NO12
MOLECULAR WEIGHT: 623.77308
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)N)O
Structure:
CAS RN: 128440-98-2
CAS Name: (2S,3R,4R,6E,12E,14R)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)eicosa-6,12-dienoic acid
OPENEYE Name: (2S,3R,4R,6E,12E,14R)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icosa-6,12-dienoic acid
IUPAC Name: (2S,3R,4R,6E,12E,14R)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icosa-6,12-dienoic acid
SYSTEMATIC NAME: (2S,3R,4R,6E,12E,14R)-2-azanyl-2-(hydroxymethyl)-3,4,14-tris(oxidanyl)icosa-6,12-dienoic acid
MOLECULAR FORMULA: C21H39NO6
MOLECULAR WEIGHT: 401.53746
SMILES: CCCCCC[C@H](/C=C/CCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O)O
Structure:
CAS RN: 128312-71-0
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-ethyl-7-hydroxynonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(6-ethyl-6-hydroxy-1-methyl-octyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-ethyl-7-hydroxynonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-ethyl-7-oxidanyl-nonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: CCC(CC)(CCCCC(C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C)O
Structure:
CAS RN: 108906-50-9
CAS Name: (2S,3R,4S,5S,6R)-2-[(6E)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(4E)-8-hydroxy-1-(1-hydroxy-1-methyl-ethyl)-4,8-dimethyl-deca-4,9-dienoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(6E)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(6E)-2,6,10-trimethyl-2,10-bis(oxidanyl)dodeca-6,11-dien-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C21H38O8
MOLECULAR WEIGHT: 418.52162
SMILES: C/C(=C\CCC(C)(C=C)O)/CCC(C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 108868-95-7
CAS Name: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3S,4R)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide
OPENEYE Name: (2E,4E,6E)-N-[(1S)-3-[[(1S)-2-methyl-1-[(3S,4R)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]propyl]amino]-3-oxo-1-phenyl-propyl]octa-2,4,6-trienamide
IUPAC Name: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3S,4R)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide
SYSTEMATIC NAME: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3S,4R)-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]octa-2,4,6-trienamide
MOLECULAR FORMULA: C27H33N3O5
MOLECULAR WEIGHT: 479.56802
SMILES: C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@@H]1[C@H](C(=O)NC1=O)C)C2=CC=CC=C2
Structure:
CAS RN: 127404-34-6
CAS Name: (E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]-4-[4-(1-imidazolyl)phenyl]-3-butenamide dihydrochloride
OPENEYE Name: (E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-(4-imidazol-1-ylphenyl)but-3-enamide dihydrochloride
IUPAC Name: (E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]-4-(4-imidazol-1-ylphenyl)but-3-enamide dihydrochloride
SYSTEMATIC NAME: (E)-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-(4-imidazol-1-ylphenyl)but-3-enamide dihydrochloride
MOLECULAR FORMULA: C27H36Cl2N4O3
MOLECULAR WEIGHT: 535.50574
SMILES: CN(CCCNC(=O)C/C=C/C1=CC=C(C=C1)N2C=CN=C2)CCC3=CC(=CC(=C3)OC)OC.Cl.Cl
Structure:
CAS RN: 127345-02-2
CAS Name: (1S,2R,3E,5Z)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylthio]-1-[3-(2H-tetrazol-5-yl)phenyl]-1-pentadeca-3,5-dienol
OPENEYE Name: (1S,2R,3E,5Z)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-1-ol
IUPAC Name: (1S,2R,3E,5Z)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-1-ol
SYSTEMATIC NAME: (1S,2R,3E,5Z)-15,15,15-tris(fluoranyl)-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-1-ol
MOLECULAR FORMULA: C25H33F3N8OS
MOLECULAR WEIGHT: 550.64273
SMILES: C1=CC(=CC(=C1)[C@@H]([C@@H](/C=C/C=C\CCCCCCCCC(F)(F)F)SCCC2=NNN=N2)O)C3=NNN=N3
Structure:
CAS RN: 127282-17-1
CAS Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-hydroxy-2-(methylthio)-4-(4-phenoxybutyl)-1-cyclopent-2-enone
OPENEYE Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-hydroxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one
IUPAC Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-hydroxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one
SYSTEMATIC NAME: (5E)-5-[(E)-4,7-bis(oxidanyl)hept-2-enylidene]-2-methylsulfanyl-4-oxidanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one
MOLECULAR FORMULA: C23H30O5S
MOLECULAR WEIGHT: 418.5463
SMILES: CSC1=CC(/C(=C\C=C\C(CCCO)O)/C1=O)(CCCCOC2=CC=CC=C2)O
Structure:
CAS RN: 127245-22-1
CAS Name: (4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyl-3-oxazinanone
OPENEYE Name: (4E)-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-2-methyl-oxazinan-3-one
IUPAC Name: (4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
SYSTEMATIC NAME: (4E)-4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-2-methyl-1,2-oxazinan-3-one
MOLECULAR FORMULA: C20H29NO3
MOLECULAR WEIGHT: 331.44916
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCON(C2=O)C
Structure:
CAS RN: 126654-66-8
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxo-1-benzopyran-7-yl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxidanylidene-chromen-7-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C36H36O11
MOLECULAR WEIGHT: 644.66444
SMILES: CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)OC)C
Structure:
CAS RN: 126532-33-0
CAS Name: (2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethyl-1-cyclohexenyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC1=C(C(CCC1)(C)CO)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C
Structure:
CAS RN: 126518-77-2
CAS Name: (2R)-3-methyl-2-[(E)-1-oxo-3-phenylprop-2-enoxy]butanoic acid methyl ester
OPENEYE Name: methyl (2R)-3-methyl-2-[(E)-3-phenylprop-2-enoyl]oxy-butanoate
IUPAC Name: methyl (2R)-3-methyl-2-[(E)-3-phenylprop-2-enoyl]oxybutanoate
SYSTEMATIC NAME: methyl (2R)-3-methyl-2-[(E)-3-phenylprop-2-enoyl]oxy-butanoate
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC(C)[C@H](C(=O)OC)OC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 85278-68-8
CAS Name: 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol
OPENEYE Name: 3-[(E)-1-(aminomethyl)-2-fluoro-vinyl]phenol
IUPAC Name: 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol
SYSTEMATIC NAME: 3-[(E)-3-azanyl-1-fluoranyl-prop-1-en-2-yl]phenol
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1=CC(=CC(=C1)O)/C(=C\F)/CN
Structure:
CAS RN: 85263-97-4
CAS Name: (2R)-2,4-diethyl-5-hydroxy-2-[(1E)-2-methylbuta-1,3-dienyl]-3-thiophenone
OPENEYE Name: (2R)-2,4-diethyl-5-hydroxy-2-[(1E)-2-methylbuta-1,3-dienyl]thiophen-3-one
IUPAC Name: (2R)-2,4-diethyl-5-hydroxy-2-[(1E)-2-methylbuta-1,3-dienyl]thiophen-3-one
SYSTEMATIC NAME: (2R)-2,4-diethyl-2-[(1E)-2-methylbuta-1,3-dienyl]-5-oxidanyl-thiophen-3-one
MOLECULAR FORMULA: C13H18O2S
MOLECULAR WEIGHT: 238.34582
SMILES: CCC1=C(S[C@](C1=O)(CC)/C=C(\C)/C=C)O
Structure:
CAS RN: 126223-28-7
CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-4-ethyl-3,12-dihydroxy-4,10,14-trimethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxyme
OPENEYE Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-17-[(1Z)-1,5-dimethylhexa-1,4-dienyl]-4-ethyl-3,12-dihydroxy-4,10,14-trimethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymet
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-4-ethyl-3,12-dihydroxy-4,10,14-trimethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymet
SYSTEMATIC NAME: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-4-ethyl-4,10,14-trimethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-3,12-bis(oxidanyl)-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)-4,5-b
MOLECULAR FORMULA: C42H70O12
MOLECULAR WEIGHT: 766.998
SMILES: CCC1(C(CC[C@]2(C1[C@@H](CC3C2C[C@@H]([C@@H]4[C@@]3(CC[C@@H]4/C(=C\CC=C(C)C)/C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)C)O)C
Structure:
CAS RN: 126218-46-0
CAS Name: O-[(E)-4-[(3-nitro-2-pyridinyl)disulfanyl]but-2-enyl]hydroxylamine
OPENEYE Name: O-[(E)-4-[(3-nitro-2-pyridyl)disulfanyl]but-2-enyl]hydroxylamine
IUPAC Name: O-[(E)-4-[(3-nitropyridin-2-yl)disulfanyl]but-2-enyl]hydroxylamine
SYSTEMATIC NAME: O-[(E)-4-[(3-nitropyridin-2-yl)disulfanyl]but-2-enyl]hydroxylamine
MOLECULAR FORMULA: C9H11N3O3S2
MOLECULAR WEIGHT: 273.33194
SMILES: C1=CC(=C(N=C1)SSC/C=C/CON)[N+](=O)[O-]
Structure:
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