Chemical structure of CAS 14813-20-8

Zapotinin

CAS No.14813-20-8
MDL No.N/A
MFC18H16O6
MW328.30
InChI KeyBFXYIQRRGIMMSR-UHFFFAOYSA-N
CUSTOM SYNTHESIS

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Product Information

Zapotinin is a naturally occurring polymethoxyflavone isolated from Casimiroa edulis. Structurally, it differs from its analog, zapotin, by possessing a free hydroxyl group at the C-5 position instead of a methoxy group. This functional variation alters the molecule's lipophilicity and potential receptor-binding affinity. While its pharmacological profile is less extensively documented than zapotin, preliminary in vitro data indicate comparable baseline bioactivity, including antioxidant and potential antineoplastic effects. Consequently, zapotinin serves as a valuable structural model for structure-activity relationship (SAR) studies in targeted drug discovery.

CAS No.14813-20-8
Product NameZapotinin
Heavy Atom Count24Rotatable Bond Count4
Atom Stereo Count0Bond Stereo Count0
HBA6HBD1
TPSA78.130 ŲCharge0
Exact Mass328.09469Complexity935.37
pKa7.205XLogP3.191