Ganoderic acid X | CAS 86377-53-9 | AnyMole

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HIT214315919

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HIT214315919

HIT ID:HIT214315919
Cas No:86377-53-9
常用名:Ganoderic acid X
IUPAC:(2E,6R)-6-[(1R,3S,3aR,5aR,7R,9aS,11aR)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
IUPAC:(2E,6R)-6-[(1R,3S,3aR,5aR,7R,9aS,11aR)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
InChI key:YCWGPALSXRBKTM-XGNRZNIMSA-N

分子式:C32H48O5
分子量:512.731
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(/C)C(O)=O |c:26,t:10|
SMILES:[H][C@@]1(C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(/C)C(O)=O |c:26,t:10|

Ganoderic acid X is a potential Mdm2 inhibitor(K(i) = 16nM). It is a potential anticancer drug, inhibits topoisomerases and induces apoptosis of cancer cells.

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