Summary

IMPPAT Phytochemical identifier: IMPHY008477

Phytochemical name: 5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran

Synonymous chemical names:
isoparvifuran

External chemical identifiers:
CID:617473

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Chemical structure information

SMILES:
COc1cc2oc(c(c2cc1O)c1ccccc1)C

InChI:
InChI=1S/C16H14O3/c1-10-16(11-6-4-3-5-7-11)12-8-13(17)15(18-2)9-14(12)19-10/h3-9,17H,1-2H3

InChIKey:
DGWJMRXLDPVLRI-UHFFFAOYSA-N

DeepSMILES:
COcccoccc5cc9O))))cccccc6)))))))C

Functional groups:
cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2coc3ccccc23)cc1

Scaffold Graph/Node level:
C1CCC(C2COC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Phenylbenzofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP-Likeness score: 0.43

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Chemical structure download