Summary

IMPPAT Phytochemical identifier: IMPHY014652

Phytochemical name: Trihydroxy-methoxy-flavonol

Synonymous chemical names:
trihydroxy-methoxy-flavonol

External chemical identifiers:
CID:129829598

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Chemical structure information

SMILES:
COc1c(O)c(O)c(c2c1c(=O)c(O)c(o2)c1ccccc1)O

InChI:
InChI=1S/C16H12O7/c1-22-15-8-9(17)11(19)14(7-5-3-2-4-6-7)23-16(8)13(21)10(18)12(15)20/h2-6,18-21H,1H3

InChIKey:
RAPWTMDENVVCRB-UHFFFAOYSA-N

DeepSMILES:
COccO)cO)ccc6c=O)cO)co6)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: 1.501

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Chemical structure download