Name: Neogambogic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212655738
Cas No:93772-31-7
常用名:Neogambogic acid
别名:新藤黄酸, neo-gambogic acid
IUPAC:(2E)-4-[10,12-dihydroxy-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),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
IUPAC:(2E)-4-[10,12-dihydroxy-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),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
InChI key:BLDWFKHVHHINGR-FYJGNVAPSA-N

分子式:C38H46O9
分子量:646.777
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:6.603466
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#6]-[#6](-[#8])-c2c(-[#8])c3-[#6](=O)-[#6]4=[#6]-[#6]-5-[#6]-[#6]6C([#6])([#6])[#8]C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#6]-5=O)C46[#8]-c3c(-[#6]\[#6]=[#6](/[#6])-[#6])c2-[#8]1 |t:17,THB:22:21:17.18:26.34,25:26:17.18:20.21,27:26:17.18:20.21|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#6]-[#6](-[#8])-c2c(-[#8])c3-[#6](=O)-[#6]4=[#6]-[#6]-5-[#6]-[#6]6C([#6])([#6])[#8]C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#6]-5=O)C46[#8]-c3c(-[#6]\[#6]=[#6](/[#6])-[#6])c2-[#8]1 |t:17,THB:22:21:17.18:26.34,25:26:17.18:20.21,27:26:17.18:20.21|

Neogambogic acid (Standard) 是 Neogambogic acid 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Neogambogic acid 是藤黄的有效成分，可诱导细胞凋亡并具有抗癌作用。它有效抑制耐甲氧西林的金黄色葡萄球菌。

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