Summary

IMPPAT Phytochemical identifier: IMPHY003195

Phytochemical name: Furo[2,3-f]chromen-7-one

Synonymous chemical names:
bakuchicin

External chemical identifiers:
CID:3083848, ChEMBL:CHEMBL499847, ZINC:ZINC000033903696, FDASRS:79Z8P9F2HJ

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Chemical structure information

SMILES:
O=c1ccc2c(o1)ccc1c2occ1

InChI:
InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H

InChIKey:
HMUJHZNYHJMOHR-UHFFFAOYSA-N

DeepSMILES:
O=ccccco6)cccc6occ5

Functional groups:
c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2c(ccc3ccoc32)o1

Scaffold Graph/Node level:
OC1CCC2C(CCC3CCOC32)O1

Scaffold Graph level:
CC1CCC2C(CCC3CCCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

ClassyFire Subclass: Furanocoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Furocoumarins

NP-Likeness score: 1.194

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Chemical structure download