Summary

IMPPAT Phytochemical identifier: IMPHY007922

Phytochemical name: Dihydrorobinetin

Synonymous chemical names:
dihydrorobinetin

External chemical identifiers:
CID:20399, ChEMBL:CHEMBL444171, SureChEMBL:SCHEMBL432880

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Chemical structure information

SMILES:
Oc1ccc2c(c1)OC(C(C2=O)O)c1cc(O)c(c(c1)O)O

InChI:
InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H

InChIKey:
VSJCDPYIMBSOKN-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)OCCC6=O))O))cccO)ccc6)O))O

Functional groups:
CO, 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: Dihydroflavonols

NP-Likeness score: 2.073

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Chemical structure download