azulene (CHEBI:31249)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	azulene

ChEBI ID	CHEBI:31249

Definition	A mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C10H8

Net Charge

Average Mass

128.17052

Monoisotopic Mass

128.06260

InChI

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

InChIKey

CUFNKYGDVFVPHO-UHFFFAOYSA-N

SMILES

c1ccc2cccc2cc1

Metabolite of Species	Details
Anthemis cretica (NCBI:txid127978)	Found in aerial part (BTO:0001658). See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. (via polycyclic arene )

Application(s):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via polycyclic arene )

ChEBI Ontology
Outgoing	azulene (CHEBI:31249) has role plant metabolite (CHEBI:76924) azulene (CHEBI:31249) has role volatile oil component (CHEBI:27311) azulene (CHEBI:31249) is a ortho-fused bicyclic arene (CHEBI:35426) azulene (CHEBI:31249) is a azulenes (CHEBI:38096) azulene (CHEBI:31249) is a mancude carbobicyclic parent (CHEBI:50553)

Incoming	4,6,8-trimethylazulene (CHEBI:87304) has parent hydride azulene (CHEBI:31249)

IUPAC Name

azulene

Last Modified

04 August 2015