Summary

IMPPAT Phytochemical identifier: IMPHY016188

Phytochemical name: 1,4-Dimethylazulene

Synonymous chemical names:
1,4-dimethylazulene

External chemical identifiers:
CID:6429347, SureChEMBL:SCHEMBL2222213

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Chemical structure information

SMILES:
Cc1ccc2-c1ccccc2C

InChI:
InChI=1S/C12H12/c1-9-5-3-4-6-11-10(2)7-8-12(9)11/h3-8H,1-2H3

InChIKey:
FKBGSRCZHMNHGG-UHFFFAOYSA-N

DeepSMILES:
Ccccc-c5ccccc7C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cccc-2cc1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP-Likeness score: -0.424

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Chemical structure download