Summary

IMPPAT Phytochemical identifier: IMPHY012248

Phytochemical name: Naphtho[2,3-b]furan-4,9-dione

Synonymous chemical names:
naphtho-[2,3-b]-furan-4-,9-dione

External chemical identifiers:
CID:79740, ChEMBL:CHEMBL62539, ZINC:ZINC000005934736, SureChEMBL:SCHEMBL28782

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Chemical structure information

SMILES:
O=C1c2ccccc2C(=O)c2c1occ2

InChI:
InChI=1S/C12H6O3/c13-10-7-3-1-2-4-8(7)11(14)12-9(10)5-6-15-12/h1-6H

InChIKey:
QMKMOPXRLXYBLI-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6C=O)cc%10occ5

Functional groups:
cC(c)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2occc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2OCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 0.745

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Chemical structure download