Chemical Compound

(4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxocyclohex-2-ene-1-carboxylic acid

CAS Registry Number 63590-19-2
(4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxocyclohex-2-ene-1-carboxylic acid 结构式
Primary record

(4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxocyclohex-2-ene-1-carboxylic acid

库存
6,322 克
纯度
98.4 %
CAS
63590-19-2

化合物标识与属性

CAS
63590-19-2
PubChem CID
5287736
SMILES
C1C[C@H]([C@@H](CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O
Canonical SMILES
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1

名称与同义词

  • balanol
  • Ophiocordin
  • Azepinostatin
  • rac-Balanol
  • (-)-Balanol
  • Balanol, 1
  • (3R-trans)-Balanol
  • 63590-19-2
  • Ophiocordin;Azepinostatin
  • AC1NRA6W
  • BALANOL ANALOG 1
  • CHEMBL60254
  • D0R2TM
  • SCHEMBL62128
  • BDBM3149
  • GTPL8142
  • MEGxm0_000504
  • O0N0E1MP23
  • orb1703701
  • Acyclic Balanol Analog (-)-1
  • ACon0_001438
  • BDBM36607
  • DTXSID201318143
  • GLXC-05056
  • ZINC3871640
  • BBF-00627
  • EX-A14892
  • AKOS040745594
  • CID5287736
  • DB-228800
  • HY-121197
  • J592.227E
  • CS-0080790
  • 167937-47-5
  • 33879-EP2275420A1
  • 33879-EP2295055A2
  • 33879-EP2295416A2
  • 33879-EP2298748A2
  • 33879-EP2298764A1
  • 33879-EP2298765A1
  • 33879-EP2305642A2
  • 33879-EP2311453A1
  • 2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
  • Q4850048
  • 2-[2,6-DIHYDROXY-4-({[(3R,4R)-3-(4-HYDROXYBENZAMIDO)AZEPAN-4-YL]OXY}CARBONYL)BENZOYL]-3-HYDROXYBENZOIC ACID
  • 4-(2-Carboxy-6-hydroxybenzoyl)-3,5-dihydroxybenzoic Acid (3R,4R)-Hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl Ester
  • BA1
  • (4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxocyclohex-2-ene-1-carboxylic acid
  • 2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid
  • 2-{[2,6-dihydroxy-4-({[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid
  • 3-Hydroxy-2-[2,6-dihydroxy-4-[[[[(3R)-3beta-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepine]-4alpha-yl]oxy]carbonyl]benzoyl]benzoic acid
  • 3-Hydroxy-2-[2,6-dihydroxy-4-[[[[3beta-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepin]-4alpha-yl]oxy]carbonyl]benzoyl]benzoic acid
  • 4-(2-Carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-benzoic acid (3r,4r)-hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl ester
  • 4-(2-Carboxy-6-hydroxybenzoyl)-3,5-dihydroxybenzoic acid 1-[(3R,4R)-hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepine-4-yl] ester
  • BENZOIC ACID, 4-(2-CARBOXY-6-HYDROXYBENZOYL)-3,5-DIHYDROXY-, (3R,4R)-HEXAHYDRO-3-((4-HYDROXYBENZOYL)AMINO)-1H-AZEPIN-4-YL ESTER
  • BENZOIC ACID, 4-(2-CARBOXY-6-HYDROXYBENZOYL)-3,5-DIHYDROXY-, 1-(HEXAHYDRO-3-((4-HYDROXYBENZOYL)AMINO)-1H-AZEPIN-4-YL) ESTER, (3R-TRANS)-
  • Benzoic acid,4-(2-(((hexahydro-4-((4-hydroxybenzoyl)oxy)-1H-azepin-3-yl)amino)carbonyl)-6-hydroxybenzoyl)-3,5-dihydroxy
  • Rel-2-(2,6-dihydroxy-4-((((3R,4R)-3-(4-hydroxybenzamido)azepan-4-yl)oxy)carbonyl)benzoyl)-3-hydroxybenzoic acid