Summary

IMPPAT Phytochemical identifier: IMPHY007852

Phytochemical name: Azulene

Synonymous chemical names:
azulen, azulene

External chemical identifiers:
CID:9231, ChEMBL:CHEMBL3272628, ChEBI:31249, ZINC:ZINC000001570209, FDASRS:82R6M9MGLP, SureChEMBL:SCHEMBL8463, MolPort-001-787-037

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Chemical structure information

SMILES:
c1ccc2-c(cc1)ccc2

InChI:
InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

InChIKey:
CUFNKYGDVFVPHO-UHFFFAOYSA-N

DeepSMILES:
cccc-ccc7))ccc5

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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 Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.415

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Chemical structure download