Name: 3-O-(E)-p-Coumaroylbetulin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885174
Cas No:144424-80-6
常用名:3-O-(E)-p-Coumaroylbetulin
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
InChI key:FKTQBZHKUPHHSC-LNVBJZNQSA-N

分子式:C39H56O4
分子量:588.873
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
SMILES:CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

3-β-O-trans-p-coumaroylbetulinol has anti-angiogenic effect, it possesses significant anti-proliferative activity with 66.7% inhibition at 100uM.

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