EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9192 - solavetivone

ChEBI IDCHEBI:9192
ChEBI Namesolavetivone
Stars
DefinitionA cyclic ketone derived from spiro[4.5]dec-6-en-8-one by substitution of hydrogens by methyl groups at positions 6 and 10, and by an isopropenyl group at position 2 (the (2R,5S,10R)-diastereoisomer).
Last Modified9 March 2015
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C
InChIInChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1
InChIKeyFGCUSSRGQNHZRW-UMVBOHGHSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Roles:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
solavetivone (CHEBI:9192) has role phytoalexin (CHEBI:26115)
solavetivone (CHEBI:9192) has role plant metabolite (CHEBI:76924)
solavetivone (CHEBI:9192) is a cyclic ketone (CHEBI:3992)
solavetivone (CHEBI:9192) is a sesquiterpenoid (CHEBI:26658)
solavetivone (CHEBI:9192) is a spiro compound (CHEBI:33599)
Incoming Relation(s)
15-hydroxysolavetivone (CHEBI:85159) has functional parent solavetivone (CHEBI:9192)
IUPAC Name 
(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one
Synonyms  Source
SolavetivoneKEGG COMPOUND
(−)-solavetivoneChemIDplus
(−)-(2R,5S,10R)-2-isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-oneChEBI
katahdinoneChemIDplus
UniProt Name  Source
solavetivoneUniProt
Manual XrefsDatabases
C09737KEGG COMPOUND
C00003191KNApSAcK
Registry NumbersSources
Reaxys:1911510Reaxys
CAS:54878-25-0KEGG COMPOUND
CAS:54878-25-0ChemIDplus
Citations