CHEBI:5550 - guaiazulene

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ChEBI Name guaiazulene
ChEBI ID CHEBI:5550
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H18
Net Charge 0
Average Mass 198.30342
Monoisotopic Mass 198.141
InChI InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
InChIKey FWKQNCXZGNBPFD-UHFFFAOYSA-N
SMILES CC(C)c1ccc(C)c2ccc(C)c2c1
ChEBI Ontology
Outgoing guaiazulene (CHEBI:5550) has parent hydride guaiane (CHEBI:36524)
guaiazulene (CHEBI:5550) is a sesquiterpene (CHEBI:35189)
IUPAC Name
1,4-dimethyl-7-(propan-2-yl)azulene
Synonyms Sources
1,4-dimethyl-7-(1-methylethyl)azulene ChemIDplus
1,4-Dimethyl-7-isopropylazulene KEGG COMPOUND
3,8-dimethyl-5-(2-propyl)azulene ChemIDplus
7-isopropyl-1,4-dimethylazulene IUPAC
Guaiazulene KEGG COMPOUND
Database Links Databases
3272 DrugCentral
C00003138 KNApSAcK
C09675 KEGG COMPOUND
D01037 KEGG DRUG
View more database links
Registry Numbers Types Sources
1365001 Beilstein Registry Number ChemIDplus
489-84-9 CAS Registry Number ChemIDplus
489-84-9 CAS Registry Number NIST Chemistry WebBook
Last Modified
22 February 2017