CHEBI:131503 - α-santalenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-santalenoic acid
ChEBI ID CHEBI:131503
ChEBI ASCII Name alpha-santalenoic acid
Definition A sesquiterpenoid that is (+)-α-santalene in which one of the methyl groups attached to the C=C double bond has been oxidised to form the corresponding carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H22O2
Net Charge 0
Average Mass 234.335
Monoisotopic Mass 234.16198
InChI InChI=1S/C15H22O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h5,10-12H,4,6-8H2,1-3H3,(H,16,17)/b9-5+/t10-,11+,12-,14-,15+/m1/s1
InChIKey NZSCHTYUGUVLHG-JPPNKFBCSA-N
SMILES C1[C@]2([C@@]3([C@]2([C@]([C@]1(C3)[H])(C)CC/C=C(/C(=O)O)\C)C)[H])[H]
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) See: MetaboLights Study
Solanum habrochaites (NCBI:txid62890) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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): insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-santalenoic acid (CHEBI:131503) has parent hydride (+)-α-santalene (CHEBI:61677)
α-santalenoic acid (CHEBI:131503) has role insecticide (CHEBI:24852)
α-santalenoic acid (CHEBI:131503) has role plant metabolite (CHEBI:76924)
α-santalenoic acid (CHEBI:131503) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
α-santalenoic acid (CHEBI:131503) is a bridged compound (CHEBI:35990)
α-santalenoic acid (CHEBI:131503) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(2E)-5-[(1R,2S,3R,4S,6R)-2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-yl]-2-methylpent-2-enoic acid
Synonyms Sources
(+)-α-santalenoic acid ChEBI
(E)-α-santalenoic acid ChEBI
Manual Xrefs Databases
10379949 ChemSpider
C00021852 KNApSAcK
View more database links
Registry Numbers Types Sources
10454274 Reaxys Registry Number Reaxys
74642-79-8 CAS Registry Number KNApSAcK
Citation Waiting for Citations Type Source
18997116 PubMed citation Europe PMC
Last Modified
15 November 2016