Name: Doxorubicinol
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212711605
Cas No:54193-28-1
常用名:Doxorubicinol
别名:RP-27706, RP 27706, Antibiotic 27706RP, Adriamycinol, 13-Dihydrodoxorubicin
别名:RP-27706, RP 27706, Antibiotic 27706RP, Adriamycinol, 13-Dihydrodoxorubicin
IUPAC:(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
IUPAC:(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
InChI key:NKZRZOVSJNSBFR-FEMMEMONSA-N

分子式:C27H31NO11
分子量:545.541
氢键供体数 (HBD):7
氢键受体数 (HBA):12
LogP:-0.03332137
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@@H](O)CO
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@@H](O)CO

Doxorubicinol is the major circulating metabolite of doxorubicin with antineoplastic acitivity.

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