Name: Cinerubin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323784
Cas No:35906-51-5
常用名:Cinerubin B
IUPAC:methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
IUPAC:methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
InChI key:ZBDDFHXUDIPRSM-DQCCILMQSA-N

分子式:C42H51NO16
分子量:825.861
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@H](O[C@@H]3[C@H](C)O[C@H](C[C@@H]3N(C)C)O[C@H]3C[C@](O)(CC)[C@H](C(=O)OC)c4cc5C(=O)c6c(O)ccc(O)c6C(=O)c5c(O)c34)O[C@@H](C)[C@@]1([H])O[C@]1([H])O[C@@H](C)C(=O)C[C@]1([H])O2
SMILES:[H][C@]12C[C@H](O[C@@H]3[C@H](C)O[C@H](C[C@@H]3N(C)C)O[C@H]3C[C@](O)(CC)[C@H](C(=O)OC)c4cc5C(=O)c6c(O)ccc(O)c6C(=O)c5c(O)c34)O[C@@H](C)[C@@]1([H])O[C@]1([H])O[C@@H](C)C(=O)C[C@]1([H])O2

Cinerubin B is a glycosylated anthracycline antibiotic that exhibits anticancer activity. It is derived from Streptomyces sp. SPB74.

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