alpha-guaiene (CHEBI:63443)

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ChEBI Name	α-guaiene

ChEBI ID	CHEBI:63443

ChEBI ASCII Name	alpha-guaiene

Definition	A carbobicyclic compound and sesquiterpene that is 1,2,3,4,5,6,7,8-octahydroazulene which is substituted by methyl groups at positions 1 and 4 and by a (prop-1-en-2-yl group at position 7 (the 1S,4S,7R enantiomer).

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.35110

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1

InChIKey

ADIDQIZBYUABQK-RWMBFGLXSA-N

SMILES

C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)=C

Roles Classification
Biological Role(s):	volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	α-guaiene (CHEBI:63443) has role plant metabolite (CHEBI:76924) α-guaiene (CHEBI:63443) has role volatile oil component (CHEBI:27311) α-guaiene (CHEBI:63443) is a carbobicyclic compound (CHEBI:36785) α-guaiene (CHEBI:63443) is a sesquiterpene (CHEBI:35189)

IUPAC Names

(1S,4S,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene

guaia-1(5),11-diene

Synonym	Source
α-guaiene	UniProt

Last Modified

25 March 2015