Name: Withacoagin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220773029
Cas No:119539-81-0
常用名:Withacoagin
别名:(+)-Withacoagin
IUPAC:(6R)-6-[(1R)-1-[(1S,3aS,3bS,5aS,9aR,9bS,11aS)-5a-hydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
IUPAC:(6R)-6-[(1R)-1-[(1S,3aS,3bS,5aS,9aR,9bS,11aS)-5a-hydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
InChI key:InChIKey=UYRXFMXVVKNLDH-VHXUWDKCSA-N

分子式:C28H38O5
分子量:454.607
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]([H])([C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C[C@@]2(O)CC=CC(=O)[C@]12C
SMILES:[H][C@@]12CC[C@]([H])([C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C[C@@]2(O)CC=CC(=O)[C@]12C

Withacoagin 是从印度醉茄根部提取的醉茄内酯，具有适应原、抗炎和抗氧化等生物活性。Withacoagin 能调节多种与氧化应激和炎症有关的酶和通路，从而减轻HIV-1感染。

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