delta-guaiene (CHEBI:63447)

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ChEBI Name	δ-guaiene

ChEBI ID	CHEBI:63447

ChEBI ASCII Name	delta-guaiene

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

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

Submitter	Kristian Axelsen

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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/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1

InChIKey

YHAJBLWYOIUHHM-GUTXKFCHSA-N

SMILES

[H][C@@]12C[C@@H](CCC(C)=C1CC[C@@H]2C)C(C)=C

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.

Application(s):	platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

ChEBI Ontology
Outgoing	δ-guaiene (CHEBI:63447) has role plant metabolite (CHEBI:76924) δ-guaiene (CHEBI:63447) has role platelet aggregation inhibitor (CHEBI:50427) δ-guaiene (CHEBI:63447) is a carbobicyclic compound (CHEBI:36785) δ-guaiene (CHEBI:63447) is a sesquiterpene (CHEBI:35189)

IUPAC Name

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

Last Modified

03 March 2014

General Comment
2011-12-23	Needed for the IUBMB reaction (2E,6E)-farnesyl diphosphate = delta-guaiene + diphosphate.