Summary

IMPPAT Phytochemical identifier: IMPHY013748

Phytochemical name: Indene

Synonymous chemical names:
1h- indene, 1h-indene, 1h-indenec

External chemical identifiers:
CID:7219, ChEMBL:CHEMBL192812, ChEBI:41921, ZINC:ZINC000001699888, FDASRS:67H8Y6LB8A, SureChEMBL:SCHEMBL8617, MolPort-000-872-023

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Chemical structure information

SMILES:
c1ccc2c(c1)C=CC2

InChI:
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

InChIKey:
YBYIRNPNPLQARY-UHFFFAOYSA-N

DeepSMILES:
cccccc6)C=CC5

Functional groups:
cC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indenes and isoindenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.135

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Chemical structure download