Name: Lancifodilactone F
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212665634
Cas No:850878-47-6
常用名:Lancifodilactone F
别名:披针叶五味子二内酯 F
IUPAC:(2S)-2-[(3R,3aR,5aR,7R,8S,10aS,10bS)-8-[(2R)-1,2-dihydroxypropan-2-yl]-3a,10b-dimethyl-5'-oxo-dodecahydro-1H-spiro[cyclohepta[e]indene-7,2'-oxolan]-3-yl]propanoic acid
IUPAC:(2S)-2-[(3R,3aR,5aR,7R,8S,10aS,10bS)-8-[(2R)-1,2-dihydroxypropan-2-yl]-3a,10b-dimethyl-5'-oxo-dodecahydro-1H-spiro[cyclohepta[e]indene-7,2'-oxolan]-3-yl]propanoic acid
InChI key:GFRDTMTUJTYIJJ-RACDTKHVSA-N

分子式:C25H40O6
分子量:436.589
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:3.046009
SMILES:C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]([C@@](C)(O)CO)[C@@]4(CCC(=O)O4)C[C@H]3CC[C@]12C)C(O)=O
SMILES:C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]([C@@](C)(O)CO)[C@@]4(CCC(=O)O4)C[C@H]3CC[C@]12C)C(O)=O

Lancifodilactone F exerts minimal cytotoxicity against C8166 cells (CC50 > 200 microg/mL) and shows anti-HIV activity with EC50 = 20.69 +/- 3.31 microg/mL and a selectivity index > 6.62.

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