Name: Rachelmycin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214324016
Cas No:69866-21-3
常用名:Rachelmycin
别名:拉奇霉素, NSC298223, CC-1065
IUPAC:4-hydroxy-7-{4-hydroxy-5-methoxy-7-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-triene-10-carbonyl]-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carbonyl}-5-methoxy-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carboxamide
IUPAC:4-hydroxy-7-{4-hydroxy-5-methoxy-7-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-triene-10-carbonyl]-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carbonyl}-5-methoxy-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carboxamide
InChI key:UOWVMDUEMSNCAV-WYENRQIDSA-N

分子式:C37H33N7O8
分子量:703.712
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@]11C(=CC(=O)c3[nH]cc(C)c13)N(C2)C(=O)c1cc2c3CCN(C(=O)c4cc5c6CCN(C(N)=O)c6c(O)c(OC)c5[nH]4)c3c(O)c(OC)c2[nH]1 |c:5|
SMILES:[H][C@]12C[C@@]11C(=CC(=O)c3[nH]cc(C)c13)N(C2)C(=O)c1cc2c3CCN(C(=O)c4cc5c6CCN(C(N)=O)c6c(O)c(OC)c5[nH]4)c3c(O)c(OC)c2[nH]1 |c:5|

Rachelmycin (CC-1065; NSC 298223) is a potent naturally antibiotic isolated from Streptomyces zelensis . Rachelmycin binds non-covalently and covalently (N-3 adenine adduct) in the minor groove of B-form DNA. Rachelmycin has exceptionally potent antitumor activity.

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