CHEBI:31249 - azulene

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ChEBI Name azulene
Definition A mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H8
Net Charge 0
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
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 )
View more via ChEBI Ontology
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)
Synonyms Sources
Azulen ChEBI
cyclopentacycloheptene NIST Chemistry WebBook
Manual Xrefs Databases
Azulene Wikipedia
C00042269 KNApSAcK
View more database links
Registry Numbers Types Sources
102129 Gmelin Registry Number Gmelin
275-51-4 CAS Registry Number KEGG COMPOUND
275-51-4 CAS Registry Number NIST Chemistry WebBook
275-51-4 CAS Registry Number ChemIDplus
969517 Beilstein Registry Number Beilstein
969517 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22351977 PubMed citation Europe PMC
24745894 PubMed citation Europe PMC
Last Modified
04 August 2015