Name: Rhizoxin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711495
Cas No:90996-54-6
常用名:Rhizoxin
别名:WF-1360, WF1360, WF 1360
IUPAC:(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0^{3,5}.0^{11,13}]henicos-14-ene-6,19-dione
IUPAC:(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0^{3,5}.0^{11,13}]henicos-14-ene-6,19-dione
InChI key:OWPCHSCAPHNHAV-QIPOKPRISA-N

分子式:C35H47NO9
分子量:625.759
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:3.7225602
SMILES:[H][C@]12C[C@@]3([H])CC(=O)O[C@]([H])(C3)[C@H](C)\C=C\[C@@]3([H])O[C@]3(C)[C@@H](O)C[C@H](OC(=O)[C@]1([H])O2)[C@H](C)[C@@H](OC)C(\C)=C\C=C\C(\C)=C\c1coc(C)n1 |t:15|
SMILES:[H][C@]12C[C@@]3([H])CC(=O)O[C@]([H])(C3)[C@H](C)\C=C\[C@@]3([H])O[C@]3(C)[C@@H](O)C[C@H](OC(=O)[C@]1([H])O2)[C@H](C)[C@@H](OC)C(\C)=C\C=C\C(\C)=C\c1coc(C)n1 |t:15|

Rhizoxin is an antitumor drug isolated from the fungus Rhizopus chinensis. It is a macrocyclic lactone compound that binds to tubulin and inhibits microtubule assembly.

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