Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006909

Phytochemical name: 5-Hydroxy-3',4',6,7-tetramethoxyflavone

Synonymous chemical names:
belamcanidin, Flavone, 5-Hydroxy-3',4',6,7-tetramethoxy, Flavone, 5-hydroxy-6,7,3' 4'-tetramethoxy, Flavone, 5-hydroxy-3',4',6,7-tetramethoxy, 5-hydroxy-3467-tetramethoxyflavone, 5-hydroxy-3',4',6,7-tetramethoxy-flavone

External chemical identifiers:
CID:CID_152430, ChEMBL:CHEMBL226508, FDASRS:MRF3C7FE9G, SureChEMBL:SCHEMBL3131502

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Chemical structure information

SMILES:
COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC

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

InChIKey:
QEWSAPKRFOFQIU-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))ccc=O)cco6)cccc6O))OC)))OC

Functional groups:
cOC, c=O, coc, cO

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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: 0.974

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Chemical structure download