Summary

IMPPAT Phytochemical identifier: IMPHY014017

Phytochemical name: naphtho[2,1-b]furan-1(2H)-one

Synonymous chemical names:
naphthofuranones

External chemical identifiers:
CID:1471585, ChEMBL:CHEMBL587020, ZINC:ZINC000001382841, SureChEMBL:SCHEMBL86321, MolPort-002-862-742

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Chemical structure information

SMILES:
O=C1COc2c1c1ccccc1cc2

InChI:
InChI=1S/C12H8O2/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-6H,7H2

InChIKey:
IONYAPWXJUCNPR-UHFFFAOYSA-N

DeepSMILES:
O=CCOcc5cccccc6cc%10

Functional groups:
cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1COc2ccc3ccccc3c21

Scaffold Graph/Node level:
OC1COC2CCC3CCCCC3C12

Scaffold Graph level:
CC1CCC2CCC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.227

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Chemical structure download