Summary

IMPPAT Phytochemical identifier: IMPHY014408

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

Synonymous chemical names:
2-(2'-hydroxy-4'-methoxy-phenyl)-5,6-methylenedioxybenzofuran

External chemical identifiers:
CID:44260109, ZINC:ZINC000013340095

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)c1oc2c(c1)cc1c(c2)OCO1

InChI:
InChI=1S/C16H12O5/c1-18-10-2-3-11(12(17)6-10)14-4-9-5-15-16(20-8-19-15)7-13(9)21-14/h2-7,17H,8H2,1H3

InChIKey:
ZSGMWCFFXCOFPM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))coccc5)cccc6)OCO5

Functional groups:
c1cOCO1, cO, cOC, 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: 0.744

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Chemical structure download