Summary

IMPPAT Phytochemical identifier: IMPHY009408

Phytochemical name: Benzo[f]chromen-1-one

Synonymous chemical names:
naphthopyrone

External chemical identifiers:
CID:12486890, ZINC:ZINC000016756486, SureChEMBL:SCHEMBL486181

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Chemical structure information

SMILES:
O=c1ccoc2c1c1ccccc1cc2

InChI:
InChI=1S/C13H8O2/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-8H

InChIKey:
JEUUNKOFKDUVMN-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cccccc6cc%10

Functional groups:
c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2ccc3ccccc3c12

Scaffold Graph/Node level:
OC1CCOC2CCC3CCCCC3C12

Scaffold Graph level:
CC1CCCC2CCC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.386

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Chemical structure download