Summary

IMPPAT Phytochemical identifier: IMPHY004425

Phytochemical name: Gossypetin

Synonymous chemical names:
gossypetin

External chemical identifiers:
CID:5280647, ChEMBL:CHEMBL253570, ChEBI:16400, ZINC:ZINC000006525297, FDASRS:SET4M23ZTM, SureChEMBL:SCHEMBL157033, MolPort-004-955-681

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Chemical structure information

SMILES:
Oc1cc(ccc1O)c1oc2c(O)c(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H

InChIKey:
YRRAGUMVDQQZIY-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))))coccO)cO)ccc6c=O)c%10O))))O

Functional groups:
c=O, cO, 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: 1.773

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Chemical structure download