Summary

IMPPAT Phytochemical identifier: IMPHY014163

Phytochemical name: 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran

Synonymous chemical names:
2-(2',4'-dihydroxyphenyl)-5,6-methylenedioxybenzofuran

External chemical identifiers:
CID:10265117, ChEMBL:CHEMBL524490, ZINC:ZINC000013341373, SureChEMBL:SCHEMBL21916054

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)c1oc2c(c1)cc1c(c2)OCO1

InChI:
InChI=1S/C15H10O5/c16-9-1-2-10(11(17)5-9)13-3-8-4-14-15(19-7-18-14)6-12(8)20-13/h1-6,16-17H,7H2

InChIKey:
UACAJEAOMACMMU-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))coccc5)cccc6)OCO5

Functional groups:
c1cOCO1, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3cc4c(cc3o2)OCO4)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CC4OCOC4CC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CC4CCCC4CC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 1.032

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Chemical structure download