Name: Trigoxyphin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317007
Cas No:1236874-00-2
常用名:Trigoxyphin A
IUPAC:(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17S,18R)-6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-17-yl benzoate
IUPAC:(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17S,18R)-6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-17-yl benzoate
InChI key:XVFFINDRMYVYJL-DFERFQQISA-N

分子式:C34H34O9
分子量:586.637
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1 |c:13,TLB:41:18:22:36.24.26,1:22:24.25:19,THB:36:16:24.25:19,26:24:16.22.17:19,25:18:22:36.24.26|
SMILES:[H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@@]4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1 |c:13,TLB:41:18:22:36.24.26,1:22:24.25:19,THB:36:16:24.25:19,26:24:16.22.17:19,25:18:22:36.24.26|

Trigoxyphin A exhibits strong cytotoxic activity against HL60 (IC(50): 0.27 microM) and A549 (IC(50): 7.5 microM) tumor cell lines.

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