Name: Boehmenan
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213885359
Cas No:57296-22-7
常用名:Boehmenan
IUPAC:[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
IUPAC:[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI key:OVFZHMPISOASDF-CIQYAKOOSA-N

分子式:C40H40O12
分子量:712.748
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(CCCOC(=O)\C=C\c2ccc(O)c(OC)c2)cc2[C@@H](COC(=O)\C=C\c3ccc(O)c(OC)c3)[C@@H](Oc12)c1ccc(O)c(OC)c1
SMILES:COc1cc(CCCOC(=O)\C=C\c2ccc(O)c(OC)c2)cc2[C@@H](COC(=O)\C=C\c3ccc(O)c(OC)c3)[C@@H](Oc12)c1ccc(O)c(OC)c1

(±)-Boehmenan shows potent protein-tyrosine phosphatase 1B (PTP1B) inhibitory activity in vitro with the IC(50) values of 43.5 uM, it inhibits PTP1B activity in a competitive manner. Boehmenan exhibits the potent cytotoxic effects against many cancer cell lines, boehmenan-mediated anti-tumor property is mediated by modulation of mitochondria and EGFR signaling pathway in A549 NSCLC cells.

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