Summary

IMPPAT Phytochemical identifier: IMPHY007023

Phytochemical name: Homoeriodictyol

Synonymous chemical names:
homoeriodictyol

External chemical identifiers:
CID:73635, ChEMBL:CHEMBL490170, ChEBI:74960, ZINC:ZINC000004098322, FDASRS:EHE7H3705C, SureChEMBL:SCHEMBL39497, MolPort-046-153-732

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Chemical structure information

SMILES:
COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

InChI:
InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1

InChIKey:
FTODBIPDTXRIGS-ZDUSSCGKSA-N

DeepSMILES:
COcccccc6O))))[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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.741

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Chemical structure download