Summary

IMPPAT Phytochemical identifier: IMPHY009448

Phytochemical name: 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

Synonymous chemical names:
eriodictyol-7,3'-dimethyl ether

External chemical identifiers:
CID:321347

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Chemical structure information

SMILES:
COc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-7,14,18-19H,8H2,1-2H3

InChIKey:
QZJVBGCZOLNWHW-UHFFFAOYSA-N

DeepSMILES:
COcccOCCC=O)c6cc%10)O)))))cccccc6)OC)))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: Chalcones, Flavanones

NP-Likeness score: 1.439

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Chemical structure download