Summary

IMPPAT Phytochemical identifier: IMPHY001582

Phytochemical name: Hibiscetin

Synonymous chemical names:
hibiscetin

External chemical identifiers:
CID:15559735, ZINC:ZINC000015271652, SureChEMBL:SCHEMBL12640014

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Chemical structure information

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

InChI:
InChI=1S/C15H10O9/c16-5-3-8(19)11(21)15-9(5)12(22)13(23)14(24-15)4-1-6(17)10(20)7(18)2-4/h1-3,16-21,23H

InChIKey:
ZPFXBGIJKDANBP-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))O)))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: 1.667

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Chemical structure download