Name: Alopecurone A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218679499
Cas No:
常用名:Alopecurone A
IUPAC:12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-5-(4-hydroxyphenyl)-2-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-4,13-dioxatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),8-trien-10-one
IUPAC:12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-5-(4-hydroxyphenyl)-2-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-4,13-dioxatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),8-trien-10-one
InChI key:UVQKYQGWGMUDAI-UHFFFAOYSA-N

分子式:C39H38O9
分子量:650.724
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)=CCC(Cc1c2OC(C(c2c(O)c2C(=O)CC(Oc12)c1ccc(O)cc1O)c1cc(O)cc(O)c1)c1ccc(O)cc1)C(C)=C
SMILES:CC(C)=CCC(Cc1c2OC(C(c2c(O)c2C(=O)CC(Oc12)c1ccc(O)cc1O)c1cc(O)cc(O)c1)c1ccc(O)cc1)C(C)=C

Alopecurone A demonstrates potent inhibitory effects on MRP1, exhibits cytotoxic activity against DU145 (prostate cancer cell line) and MCF-7 (breast cancer cell line) with IC50 values of 2.44 and 5.44 μg/mL, respectively, and possesses antibacterial activity against methicillin-resistant Staphylococcus aureus.

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