Summary

IMPPAT Phytochemical identifier: IMPHY009159

Phytochemical name: Zapotin

Synonymous chemical names:
zapotin, zapotin (2',5,6,6'-tetramethoxyflavone)

External chemical identifiers:
CID:629965, ChEMBL:CHEMBL375582, ChEBI:175322, ZINC:ZINC000014756841, SureChEMBL:SCHEMBL3307703, MolPort-005-945-165

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Chemical structure information

SMILES:
COc1cccc(c1c1cc(=O)c2c(o1)ccc(c2OC)OC)OC

InChI:
InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3

InChIKey:
PBQMALAAFQMDSP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6ccc=O)cco6)cccc6OC)))OC)))))))))))OC

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.804

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Chemical structure download