Name: Bisandrographolide A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884504
Cas No:160498-00-0;160498-02-2
常用名:Bisandrographolide A
IUPAC:3-[(1E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]-5-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-(2-oxo-2,5-dihydrofuran-3-yl)ethyl}-2,5-dihydrofuran-2-one
IUPAC:3-[(1E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]-5-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-(2-oxo-2,5-dihydrofuran-3-yl)ethyl}-2,5-dihydrofuran-2-one
InChI key:WQHWOZANSOUSAY-LZBAHHAZSA-N

分子式:C40H56O8
分子量:664.88
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(C3OC(=O)C(\C=C\[C@@H]4C(=C)CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]45C)=C3)C3=CCOC3=O)C(=C)CC[C@H]12 |c:37,t:40|
SMILES:C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(C3OC(=O)C(\C=C\[C@@H]4C(=C)CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]45C)=C3)C3=CCOC3=O)C(=C)CC[C@H]12 |c:37,t:40|

Bisandrographolide A activates TRPV4 channels, could play a role in some of the effects of Andrographis extract described in traditional medicine.

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