Summary

IMPPAT Phytochemical identifier: IMPHY005476

Phytochemical name: Tamarixetin

Synonymous chemical names:
4'-methoxyquercetin, tamarixetin

External chemical identifiers:
CID:5281699, ChEMBL:CHEMBL226034, ChEBI:67492, ZINC:ZINC000006484604, FDASRS:73WRA8Z8M8, SureChEMBL:SCHEMBL892776, MolPort-001-741-910

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Chemical structure information

SMILES:
COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O)O

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

InChIKey:
FPLMIPQZHHQWHN-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O)))cocccO)ccc6c=O)c%10O))))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: 1.545

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Chemical structure download