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CHEBI:63447 - δ-guaiene

ChEBI IDCHEBI:63447
ChEBI Nameδ-guaiene
Stars
ASCII Namedelta-guaiene
DefinitionA 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).
Last Modified3 March 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C[C@H](C(=C)C)CCC(C)=C1CC[C@@H]2C
InChIInChI=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
InChIKeyYHAJBLWYOIUHHM-GUTXKFCHSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
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 Relation(s)
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
Synonyms  Source
α-bulneseneSUBMITTER
(+)-α-bulneseneChEBI
UniProt Name  Source
δ-guaieneUniProt
Manual XrefsDatabases
CPD-12888MetaCyc
CN1955151Patent
HMDB0036444HMDB
GuaieneWikipedia
Registry NumbersSources
Reaxys:2046233Reaxys
CAS:3691-11-0ChemIDplus
Citations