Summary

IMPPAT Phytochemical identifier: IMPHY000065

Phytochemical name: Corymbosin

Synonymous chemical names:
5-hydroxy-7,3',4'-5'-tetramethoxyflavone (corymbosin), corymbosin

External chemical identifiers:
CID:10970376, ChEMBL:CHEMBL511257, ZINC:ZINC000014644743, SureChEMBL:SCHEMBL1976826, MolPort-046-153-728

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1cc(OC)c(c(c1)OC)OC

InChI:
InChI=1S/C19H18O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-9,20H,1-4H3

InChIKey:
FLCVGMVLNHYJAW-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))cccOC))ccc6)OC)))OC

Functional groups:
c=O, cO, 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: 0.976

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Chemical structure download