Name: Ganoderic acid ζ
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214315920
Cas No:294674-09-2
常用名:Ganoderic acid ζ
IUPAC:(2E,4S,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid
IUPAC:(2E,4S,6R)-6-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid
InChI key:PRJBNEAPLDQWLQ-AVCLMWMBSA-N

分子式:C30H42O7
分子量:514.659
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O |c:7|
SMILES:[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)C[C@H](O)\C=C(/C)C(O)=O |c:7|

The binding affinities of ganoderic acid DM andGanoderic acid ζ (ÎGbind, -16.83 and-10.99 kcal mol-1) are comparable to that of current commercial drug oseltamivir (-23.62 kcal mol-1);Ganoderic acid DM is a potential source of anti-influenza ingredient, with novel binding pattern and advantage over oseltamivir, it has steric hindrance on the 150 cavity of N1 protein, and exerts activities across the H274Y and N294S mutations, is the attractive candidates of novel neuraminidase (NA) inhibitors.Ganoderic acid zeta has cytotoxicity in vitro against Meth-A and LLC cell lines.

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