CHEBI:63447 - δ-guaiene

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ChEBI Name δ-guaiene
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 0
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
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.
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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)
Synonyms Sources
(+)-α-bulnesene ChEBI
α-bulnesene SUBMITTER
δ-guaiene UniProt
Manual Xrefs Databases
CN1955151 Patent
CPD-12888 MetaCyc
Guaiene Wikipedia
HMDB0036444 HMDB
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Registry Numbers Types Sources
2046233 Reaxys Registry Number Reaxys
3691-11-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16712790 PubMed citation Europe PMC
16970904 PubMed citation SUBMITTER
17107759 PubMed citation Europe PMC
20959422 PubMed citation SUBMITTER
Last Modified
03 March 2014
General Comment
2011-12-23 Needed for the IUBMB reaction (2E,6E)-farnesyl diphosphate = delta-guaiene + diphosphate.