Summary

IMPPAT Phytochemical identifier: IMPHY005908

Phytochemical name: 3,5-Dihydroxy-6,7,8-trimethoxyflavone

Synonymous chemical names:
3',5-dihydroxy-6,7,8-trimethoxy-flavone

External chemical identifiers:
CID:5379262, ChEMBL:CHEMBL1416487

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Chemical structure information

SMILES:
COc1c(OC)c(OC)c(c2c1oc(c1ccccc1)c(c2=O)O)O

InChI:
InChI=1S/C18H16O7/c1-22-16-12(20)10-11(19)13(21)14(9-7-5-4-6-8-9)25-15(10)17(23-2)18(16)24-3/h4-8,20-21H,1-3H3

InChIKey:
TYZXGIOTNSBKDB-UHFFFAOYSA-N

DeepSMILES:
COccOC))cOC))ccc6occccccc6))))))cc6=O))O))))))O

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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.333

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Chemical structure download