CAS RN: 149003-71-4
CAS Name: (2S)-N-[3-[[(1E)-1-(5-acetyl-6-hydroxy-2,4-dioxo-3-pyranylidene)ethyl]amino]-5-[[(2S)-2,3-dihydroxy-1-oxopropyl]amino]phenyl]-2,3-dihydroxypropanamide
OPENEYE Name: (2S)-N-[3-[[(1E)-1-(5-acetyl-6-hydroxy-2,4-dioxo-pyran-3-ylidene)ethyl]amino]-5-[[(2S)-2,3-dihydroxypropanoyl]amino]phenyl]-2,3-dihydroxy-propanamide
IUPAC Name: (2S)-N-[3-[[(1E)-1-(5-acetyl-6-hydroxy-2,4-dioxopyran-3-ylidene)ethyl]amino]-5-[[(2S)-2,3-dihydroxypropanoyl]amino]phenyl]-2,3-dihydroxypropanamide
SYSTEMATIC NAME: (2S)-N-[3-[[(2S)-2,3-bis(oxidanyl)propanoyl]amino]-5-[[(1E)-1-[5-ethanoyl-6-oxidanyl-2,4-bis(oxidanylidene)pyran-3-ylidene]ethyl]amino]phenyl]-2,3-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C21H23N3O11
MOLECULAR WEIGHT: 493.42082
SMILES: CC(=O)C1=C(OC(=O)/C(=C(\C)/NC2=CC(=CC(=C2)NC(=O)[C@H](CO)O)NC(=O)[C@H](CO)O)/C1=O)O
Structure:
CAS RN: 130571-14-1
CAS Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxop
OPENEYE Name: (2S)-N-[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]c
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxop
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]
MOLECULAR FORMULA: C67H124N18O15
MOLECULAR WEIGHT: 1421.81306
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O
Structure:
CAS RN: 145854-59-7
CAS Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxop
OPENEYE Name: (2S)-N-[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]c
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxop
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]
MOLECULAR FORMULA: C67H124N18O15
MOLECULAR WEIGHT: 1421.81306
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O
Structure:
CAS RN: 15979-35-8
CAS Name: 7-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid
OPENEYE Name: 7-[5-(2-acetamidoethyl)-2-hydroxy-phenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-anthracene-1,2-dicarboxylic acid
IUPAC Name: 7-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C26H19NO12
MOLECULAR WEIGHT: 537.42856
SMILES: CC(=O)NCCC1=CC(=C(C=C1)O)C2=C(C3=C(C(=C2O)O)C(=O)C4=CC(=C(C(=C4C3=O)C(=O)O)C(=O)O)O)O
Structure:
CAS RN: 15868-40-3
CAS Name: 2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,5-dihydroxy-4-methoxy-phenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one
IUPAC Name: 2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 3,7-dimethoxy-2-[4-methoxy-3,5-bis(oxidanyl)phenyl]-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O8
MOLECULAR WEIGHT: 360.31484
SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)O
Structure:
CAS RN: 15711-65-6
CAS Name: (6Z)-4-chloro-6-[(oxidoamino)methylidene]-1-cyclohexa-2,4-dienone; cobalt(2+)
OPENEYE Name: cobaltous (6Z)-4-chloro-6-[(oxidoamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-4-chloro-6-[(oxidoamino)methylidene]cyclohexa-2,4-dien-1-one; cobalt(2+)
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-[(oxidanidylamino)methylidene]cyclohexa-2,4-dien-1-one; cobalt(2+)
MOLECULAR FORMULA: C14H10Cl2CoN2O4
MOLECULAR WEIGHT: 400.0794
SMILES: C1=CC(=O)/C(=C\N[O-])/C=C1Cl.C1=CC(=O)/C(=C\N[O-])/C=C1Cl.[Co+2]
Structure:
CAS RN: 15648-86-9
CAS Name: 5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
MOLECULAR FORMULA: C21H20O13
MOLECULAR WEIGHT: 480.3757
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 28454-80-0
CAS Name: 5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
MOLECULAR FORMULA: C21H20O13
MOLECULAR WEIGHT: 480.3757
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 354817-05-3
CAS Name: 5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
MOLECULAR FORMULA: C21H20O13
MOLECULAR WEIGHT: 480.3757
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 39049-12-2
CAS Name: 5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
MOLECULAR FORMULA: C21H20O13
MOLECULAR WEIGHT: 480.3757
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 51447-85-9
CAS Name: 5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
MOLECULAR FORMULA: C21H20O13
MOLECULAR WEIGHT: 480.3757
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 199468-89-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: C[C@@H]1CC23[C@@H](C[C@H]2O1)C(=O)C4=C(C3=O)C=CC=C4OC
Structure:
CAS RN: 182296-54-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29NO3
MOLECULAR WEIGHT: 343.45986
SMILES: C1CC[C@]2([C@H]3C(C4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O)O
Structure:
CAS RN: 178062-99-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H48O12
MOLECULAR WEIGHT: 696.78052
SMILES: CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4(CC(=O)[C@@H](O4)CC(=O)C1)C)OC(=O)[C@@]56CC[C@@H](CC(=O)C[C@H]7C(=O)C[C@@](O7)(C[C@H]([C@@H]5O6)OC3=O)C)C(=C)C
Structure:
CAS RN: 176220-84-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H48N2O6
MOLECULAR WEIGHT: 676.84032
SMILES: C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C(=C4)C6=CC7=C8C(=C6O)O[C@@H]9[C@]81CCN([C@H](C7)[C@@]1(CCC9=C)O)CC1CC1)O)CCN3CC1CC1)O
Structure:
CAS RN: 89946-00-9
CAS Name: 3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C26H28O14
MOLECULAR WEIGHT: 564.49212
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)C5=CC=C(C=C5)O)O)O)O)O
Structure:
CAS RN: 89783-71-1
CAS Name: 3,8-dihydroxy-1,2,4,6-tetramethoxy-9-xanthenone
OPENEYE Name: 3,8-dihydroxy-1,2,4,6-tetramethoxy-xanthen-9-one
IUPAC Name: 3,8-dihydroxy-1,2,4,6-tetramethoxyxanthen-9-one
SYSTEMATIC NAME: 1,2,4,6-tetramethoxy-3,8-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C17H16O8
MOLECULAR WEIGHT: 348.30414
SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C(=C3OC)O)OC)OC)O
Structure:
CAS RN: 21794-66-1
CAS Name: 1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-9-xanthenone
OPENEYE Name: 1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
IUPAC Name: 1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
SYSTEMATIC NAME: 2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-methoxy-1,6,7-tris(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C20H20O11
MOLECULAR WEIGHT: 436.3662
SMILES: COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 21490-21-1
CAS Name: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,17S)-17-[(1R,2R,4R)-4-ethyl-1,2-dihydroxy-5-(hydroxymethyl)-1-methyl-hex-5-enyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R,5R)-5-ethyl-6-(hydroxymethyl)-2,3-bis(oxidanyl)hept-6-en-2-yl]-10,13-dimethyl-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C29H46O7
MOLECULAR WEIGHT: 506.67134
SMILES: CC[C@H](C[C@H]([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)C(=C)CO
Structure:
CAS RN: 20486-38-8
CAS Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C23H24O12
MOLECULAR WEIGHT: 492.42946
SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O
Structure:
CAS RN: 20486-34-4
CAS Name: 5,7-dihydroxy-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 20188-83-4
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-methoxy-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O11
MOLECULAR WEIGHT: 462.40348
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC(=C(C=C4)O)O)O)O)O
Structure:
CAS RN: 19777-82-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=CC(=C(C=C34)O)OC)OC
Structure:
CAS RN: 19201-53-7
CAS Name: (2E)-6-bromo-2-(6-bromo-3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
OPENEYE Name: (2E)-6-bromo-2-(6-bromo-3-oxo-indolin-2-ylidene)indolin-3-one
IUPAC Name: (2E)-6-bromo-2-(6-bromo-3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
SYSTEMATIC NAME: (2E)-6-bromanyl-2-(6-bromanyl-3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-3-one
MOLECULAR FORMULA: C16H8Br2N2O2
MOLECULAR WEIGHT: 420.05492
SMILES: C1=CC2=C(C=C1Br)N/C(=C/3\C(=O)C4=C(N3)C=C(C=C4)Br)/C2=O
Structure:
CAS RN: 18799-43-4
CAS Name: 1-hydroxy-3-methoxy-9-xanthenone
OPENEYE Name: 1-hydroxy-3-methoxy-xanthen-9-one
IUPAC Name: 1-hydroxy-3-methoxyxanthen-9-one
SYSTEMATIC NAME: 3-methoxy-1-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C14H10O4
MOLECULAR WEIGHT: 242.2268
SMILES: COC1=CC(=C2C(=C1)OC3=CC=CC=C3C2=O)O
Structure:
CAS RN: 18783-14-7
CAS Name: 1-(4,5-dihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)-2,4,5,8-tetrahydroxy-7-methylanthracene-9,10-dione
OPENEYE Name: 1-(4,5-dihydroxy-7-methyl-9,10-dioxo-1-anthryl)-2,4,5,8-tetrahydroxy-7-methyl-anthracene-9,10-dione
IUPAC Name: 1-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2,4,5,8-tetrahydroxy-7-methylanthracene-9,10-dione
SYSTEMATIC NAME: 7-methyl-1-[7-methyl-4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-2,4,5,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O10
MOLECULAR WEIGHT: 538.45792
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O
Structure:
CAS RN: 18693-30-6
CAS Name: 1,4,5,7-tetrahydroxy-2-methyl-8-(4,5,8-trihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)anthracene-9,10-dione
OPENEYE Name: 1,4,5,7-tetrahydroxy-2-methyl-8-(4,5,8-trihydroxy-7-methyl-9,10-dioxo-1-anthryl)anthracene-9,10-dione
IUPAC Name: 1,4,5,7-tetrahydroxy-2-methyl-8-(4,5,8-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
SYSTEMATIC NAME: 7-methyl-1-[7-methyl-4,5,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-2,4,5,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O11
MOLECULAR WEIGHT: 554.45732
SMILES: CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O
Structure:
CAS RN: 18693-29-3
CAS Name: 1,4,5-trihydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)anthracene-9,10-dione
OPENEYE Name: 1,4,5-trihydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-1-anthryl)anthracene-9,10-dione
IUPAC Name: 1,4,5-trihydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
SYSTEMATIC NAME: 2-methyl-8-[7-methyl-2,4,5-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-1,4,5-tris(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O10
MOLECULAR WEIGHT: 538.45792
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C(=CC(=C3C2=O)O)O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O
Structure:
CAS RN: 17590-38-4
CAS Name: (E)-(3-methyl-5-oxadiazol-3-iumyl)-oxidodiazene
OPENEYE Name: (E)-(3-methyloxadiazol-3-ium-5-yl)-oxido-diazene
IUPAC Name: (E)-(3-methyloxadiazol-3-ium-5-yl)-oxidodiazene
SYSTEMATIC NAME: (E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)-oxidanidyl-diazene
MOLECULAR FORMULA: C3H4N4O2
MOLECULAR WEIGHT: 128.08946
SMILES: C[N+]1=NOC(=C1)/N=N/[O-]
Structure:
CAS RN: 17249-00-2
CAS Name: 3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxoanthracene-1,2-dicarboxylic acid
OPENEYE Name: 3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxo-anthracene-1,2-dicarboxylic acid
IUPAC Name: 3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxoanthracene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 7-[5-(2-hydroxyethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C24H16O12
MOLECULAR WEIGHT: 496.37664
SMILES: C1=CC(=C(C=C1CCO)C2=C(C3=C(C(=C2O)O)C(=O)C4=CC(=C(C(=C4C3=O)C(=O)O)C(=O)O)O)O)O
Structure:
CAS RN: 98166-00-8
CAS Name: (2S)-2-[(1-oxo-2-phenylethyl)-(1,3,5-trimethyl-4-pyrazolyl)amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[(2-phenylacetyl)-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate
IUPAC Name: methyl (2S)-2-[(2-phenylacetyl)-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[2-phenylethanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate
MOLECULAR FORMULA: C18H23N3O3
MOLECULAR WEIGHT: 329.39352
SMILES: CC1=C(C(=NN1C)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2
Structure:
CAS RN: 98165-97-0
CAS Name: (2S)-2-[(3,5-dimethyl-4-isoxazolyl)-(1-oxo-2-phenylethyl)amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[(3,5-dimethylisoxazol-4-yl)-(2-phenylacetyl)amino]propanoate
IUPAC Name: methyl (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenylacetyl)amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenylethanoyl)amino]propanoate
MOLECULAR FORMULA: C17H20N2O4
MOLECULAR WEIGHT: 316.3517
SMILES: CC1=C(C(=NO1)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2
Structure:
CAS RN: 97716-85-3
CAS Name: (2S)-2-(2,6-dimethyl-N-(1-oxo-2-phenylethyl)anilino)propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
IUPAC Name: methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
SYSTEMATIC NAME: methyl (2S)-2-[(2,6-dimethylphenyl)-(2-phenylethanoyl)amino]propanoate
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2
Structure:
CAS RN: 96935-29-4
CAS Name: 1-hydroxy-3,4-dimethoxy-10-methyl-9-acridinone
OPENEYE Name: 1-hydroxy-3,4-dimethoxy-10-methyl-acridin-9-one
IUPAC Name: 1-hydroxy-3,4-dimethoxy-10-methylacridin-9-one
SYSTEMATIC NAME: 3,4-dimethoxy-10-methyl-1-oxidanyl-acridin-9-one
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C=C3O)OC)OC
Structure:
CAS RN: 90745-22-5
CAS Name: 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[4-methoxy-3,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C16H12O7
MOLECULAR WEIGHT: 316.26228
SMILES: COC1=C(C=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Structure:
CAS RN: 107688-09-5
CAS Name: (8-methoxy-5H-pyridazino[4,5-b]indol-4-yl)hydrazine
OPENEYE Name: (8-methoxy-5H-pyridazino[4,5-b]indol-4-yl)hydrazine
IUPAC Name: (8-methoxy-5H-pyridazino[4,5-b]indol-4-yl)hydrazine
SYSTEMATIC NAME: (8-methoxy-5H-pyridazino[4,5-b]indol-4-yl)diazane
MOLECULAR FORMULA: C11H11N5O
MOLECULAR WEIGHT: 229.23794
SMILES: COC1=CC2=C(C=C1)NC3=C(N=NC=C23)NN
Structure:
CAS RN: 107584-27-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H36NO15+
MOLECULAR WEIGHT: 650.60454
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3C4=C(C=C[N+]3(C)C)OC5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)CO)O)O)O)O)O
Structure:
CAS RN: 107248-93-1
CAS Name: (E)-3-anilino-3-hydroxy-2-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-propenenitrile
OPENEYE Name: (E)-3-anilino-3-hydroxy-2-(1-methylpyrrole-2-carbonyl)prop-2-enenitrile
IUPAC Name: (E)-3-anilino-3-hydroxy-2-(1-methylpyrrole-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(1-methylpyrrol-2-yl)carbonyl-3-oxidanyl-3-phenylazanyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: CN1C=CC=C1C(=O)/C(=C(\NC2=CC=CC=C2)/O)/C#N
Structure:
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