5'-Demethylaquillochin | CAS 305364-91-4 | AnyMole

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HIT213885915

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HIT213885915

HIT ID:HIT213885915
Cas No:305364-91-4
常用名:5'-Demethylaquillochin
IUPAC:(2R,3R)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2H,3H,9H-[1,4]dioxino[2,3-h]chromen-9-one
IUPAC:(2R,3R)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2H,3H,9H-[1,4]dioxino[2,3-h]chromen-9-one
InChI key:ATBGMZCSYDMJJM-RHSMWYFYSA-N

分子式:C20H18O9
分子量:402.355
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(cc(O)c1O)[C@H]1Oc2c(OC)cc3ccc(=O)oc3c2O[C@@H]1CO
SMILES:COc1cc(cc(O)c1O)[C@H]1Oc2c(OC)cc3ccc(=O)oc3c2O[C@@H]1CO

5'-Demethylaquillochin and its isomer from the dichloromethane extract of E. cavaleriei have potential as chemopreventive agents through induction of detoxification enzymes. 5'-Demethylaquillochin exhibits the most potential chemopreventive ability.

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