Vitexilactone | CAS 61263-49-8 | AnyMole

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HIT214316258

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HIT214316258

HIT ID:HIT214316258
Cas No:61263-49-8
常用名:Vitexilactone
IUPAC:(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalen-1-yl acetate
IUPAC:(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalen-1-yl acetate
InChI key:FBWWXAGANVJTLU-HEXLTJKYSA-N

分子式:C22H34O5
分子量:378.509
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@@H](C[C@@H](C)[C@](O)(CCC3=CC(=O)OC3)[C@@]1(C)CCCC2(C)C)OC(C)=O |t:10|
SMILES:[H][C@@]12[C@@H](C[C@@H](C)[C@](O)(CCC3=CC(=O)OC3)[C@@]1(C)CCCC2(C)C)OC(C)=O |t:10|

Vitexilactone is a HIV-1 reverse transcriptase inhibitor in virtual screening against Indonesian Herbal Database using AutoDock4 performed on HIV-1 reverse transcriptase. It has trypanocidal activity, the minimum lethal concentration against epimastigotes of Trypanosoma cruzi is 66 microM.Vitexilactone is one anticancer component of Vitex trifolia L., which exerts its anti-proliferative effect on cancer cells through inducing apoptosis and inhibiting the cell cycle.

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