CHEBI:138049 - guaia-4,6-diene

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ChEBI Name guaia-4,6-diene
ChEBI ID CHEBI:138049
Definition A bicyclic sesquiterpene that is 1,2,6,7,8,8a-hexahydroazulene carrying an isopropyl substituent at position 5 as well as two methyl substituents at positions 5 and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C15H24
Net Charge 0
Average Mass 204.352
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/h9-11,14H,5-8H2,1-4H3
InChIKey HLXDFKWNOTZIEI-UHFFFAOYSA-N
SMILES C=12C(CCC1C)C(CCC(=C2)C(C)C)C
Metabolite of Species Details
Xanthium strumarium (NCBI:txid318068) See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing guaia-4,6-diene (CHEBI:138049) has role plant metabolite (CHEBI:76924)
guaia-4,6-diene (CHEBI:138049) is a carbobicyclic compound (CHEBI:36785)
guaia-4,6-diene (CHEBI:138049) is a polycyclic olefin (CHEBI:35714)
guaia-4,6-diene (CHEBI:138049) is a sesquiterpene (CHEBI:35189)
IUPAC Name
3,8-dimethyl-5-(propan-2-yl)-1,2,6,7,8,8a-hexahydroazulene
Synonyms Sources
5-isopropyl-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulene ChEBI
guaia-4,6-diene UniProt
Manual Xref Database
CPD-20225 MetaCyc
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Citation Waiting for Citations Type Source
26858282 PubMed citation SUBMITTER
Last Modified
16 October 2017