Name: Chevalone B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212038791
Cas No:1318025-75-0
常用名:Chevalone B
IUPAC:(1R,2S,11S,14R,15R,18S,20R)-1,7,11,15,19,19-hexamethyl-5-oxo-6,10-dioxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4(9),7-dien-18-yl acetate
IUPAC:(1R,2S,11S,14R,15R,18S,20R)-1,7,11,15,19,19-hexamethyl-5-oxo-6,10-dioxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4(9),7-dien-18-yl acetate
InChI key:IRSLQXSSQAASGV-GPTGPEQGSA-N

分子式:C28H40O5
分子量:456.623
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:4.990359
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5cc(C)oc(=O)c5C[C@@]34[H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5cc(C)oc(=O)c5C[C@@]34[H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C

Chevalone B is a meroterpenoid originally isolated from the fungus E. chevalieri. It is cytotoxic to KB and NCI-H187 cells with IC50 values of 2.9 and 9.8 μg/ml, respectively.

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