Collinomycin
HIT212682524
sdf文件结构编辑类似物检索
HIT ID: HIT212682524
Cas No: 27267-69-2
分子式: C27H20O12
分子量: 536.445
常用名: Collinomycin
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 4.440369
IUPAC: methyl 7,8-dihydroxy-6-(2-{8-hydroxy-5,7-dimethoxy-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-2-yl}ethyl)-1-oxo-1H-isochromene-3-carboxylate
IUPAC: methyl 7,8-dihydroxy-6-(2-{8-hydroxy-5,7-dimethoxy-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-2-yl}ethyl)-1-oxo-1H-isochromene-3-carboxylate
SMILES: COC(=O)c1cc2cc(CCc3cc4c(o3)C(=O)c3c(O)c(OC)cc(OC)c3C4=O)c(O)c(O)c2c(=O)o1
SMILES: COC(=O)c1cc2cc(CCc3cc4c(o3)C(=O)c3c(O)c(OC)cc(OC)c3C4=O)c(O)c(O)c2c(=O)o1
InChI key: LQNGOIZVRFNQLO-UHFFFAOYSA-N
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