Summary

IMPPAT Phytochemical identifier: IMPHY010550

Phytochemical name: Naringetol

Synonymous chemical names:
narigenin, naringenin

External chemical identifiers:
CID:439246, ChEMBL:CHEMBL9352, ChEBI:17846, ZINC:ZINC000000156701, FDASRS:HN5425SBF2, SureChEMBL:SCHEMBL20570, MolPort-001-796-145

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

InChI:
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1

InChIKey:
FTVWIRXFELQLPI-ZDUSSCGKSA-N

DeepSMILES:
Occcccc6))[C@@H]CC=O)ccO6)cccc6O)))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.76

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Chemical structure download