EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167496 - 11-oxomiltiradiene

ChEBI IDCHEBI:167496
ChEBI Name11-oxomiltiradiene
Stars
DefinitionAn abietane diterpenoid that is miltiradiene in which the carbon at position 11 has been oxidised to the corresponding oxo group.
Last Modified16 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@@]12CCC3=C(C(=O)C=C(C(C)C)C3)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H30O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h12-13,17H,6-11H2,1-5H3/t17-,20-/m0/s1
InChIKeyLAHVGYYTGUTYOE-PXNSSMCTSA-N
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.
ChEBI Ontology
Outgoing Relation(s)
11-oxomiltiradiene (CHEBI:167496) has functional parent miltiradiene (CHEBI:65037)
11-oxomiltiradiene (CHEBI:167496) has role plant metabolite (CHEBI:76924)
11-oxomiltiradiene (CHEBI:167496) is a abietane diterpenoid (CHEBI:36762)
11-oxomiltiradiene (CHEBI:167496) is a carbotricyclic compound (CHEBI:38032)
11-oxomiltiradiene (CHEBI:167496) is a cyclic ketone (CHEBI:3992)
11-oxomiltiradiene (CHEBI:167496) is a tricyclic diterpenoid (CHEBI:79084)
11-oxomiltiradiene (CHEBI:167496) is conjugate acid of 11-oxomiltiradiene(1−) (CHEBI:167486)
Incoming Relation(s)
11-oxomiltiradiene(1−) (CHEBI:167486) is conjugate base of 11-oxomiltiradiene (CHEBI:167496)
IUPAC Name 
abieta-8,12-dien-11-one
Synonyms  Source
11-keto-miltiradieneSUBMITTER
(4bS,8aS)-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-4(1H)-oneIUPAC
UniProt Name  Source
11-oxomiltiradieneUniProt
Manual XrefsDatabases
CPD-23298MetaCyc
Citations