Name: S-30-Hydroxygambogic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT217583891
Cas No:881027-36-7
常用名:S-30-Hydroxygambogic acid
IUPAC:(2Z)-4-[(1S,2S,8S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-(hydroxymethyl)but-2-enoic acid
IUPAC:(2Z)-4-[(1S,2S,8S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-(hydroxymethyl)but-2-enoic acid
InChI key:MNNVIONVHRRQPF-YTHHKHRISA-N

分子式:C38H44O9
分子量:644.761
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC3([H])C=C4C(=O)c5c(O)c6C=C[C@](C)(CCC=C(C)C)Oc6c(CC=C(C)C)c5O[C@@]14[C@@](C\C=C(\CO)C(O)=O)(OC2(C)C)C3=O
SMILES:[H][C@@]12CC3([H])C=C4C(=O)c5c(O)c6C=C[C@](C)(CCC=C(C)C)Oc6c(CC=C(C)C)c5O[C@@]14[C@@](C\C=C(\CO)C(O)=O)(OC2(C)C)C3=O

S-30-Hydroxygambogic acid，一聚戊烯酰黄酮外聚体，源自藤黄。针对人白血病细胞系K562/R及K562/S，其IC50值别为4.49 μM与3.61 μM。S-30-Hydroxygambogic acid主用于癌症研究领域。

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