Summary

IMPPAT Phytochemical identifier: IMPHY016905

Phytochemical name: 3,3',5-Trihydroxy-7-methoxyflavone

Synonymous chemical names:
3,3'5-trihydroxy-7-methoxyflavone

External chemical identifiers:
CID:90963381

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1cccc(c1)O

InChI:
InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-3-2-4-9(17)5-8/h2-7,17-18,20H,1H3

InChIKey:
RLFUYPWAZFJVEG-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))O))cccccc6)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: 1.351

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Chemical structure download