6-Hydroxyrotenone
HIT104616668
sdf文件结构编辑类似物检索
HIT ID: HIT104616668
Cas No: n.g.
分子式: C23H22O7
分子量: 410.422
常用名: 6-Hydroxyrotenone
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 2.956
IUPAC: (1S,6R,13S)-21-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{14,19}]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
IUPAC: (1S,6R,13S)-21-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{14,19}]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
SMILES: COc1cc2OC(O)[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
SMILES: COc1cc2OC(O)[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
InChI key: OFLJOIFZMITSOL-UZRKEORLSA-N
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