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> Main
CHEBI:31249 - azulene
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ChEBI Ontology
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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.
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Read full article at Wikipedia
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
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
)
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
)
IUPAC Name
azulene
Synonyms
Sources
Azulen
ChEBI
Azulene
KEGG COMPOUND
cyclopentacycloheptene
NIST Chemistry WebBook
Manual Xrefs
Databases
Azulene
Wikipedia
C00042269
KNApSAcK
C13392
KEGG COMPOUND
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
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22351977
PubMed citation
Europe PMC
24745894
PubMed citation
Europe PMC
Last Modified
04 August 2015