EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:132613 - triptonoterpenol

ChEBI IDCHEBI:132613
ChEBI Nametriptonoterpenol
Stars
DefinitionA tricyclic diterpenoid having formula C21H30O4, originally isolated from Tripterygium wilfordii .
Last Modified23 November 2016
Submitterliuqingping
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@]12CCc3c(OC)c(C(C)C)cc(O)c3[C@]1(C)CCC(=O)[C@@]2(C)CO
InChIInChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1
InChIKeyXGRBHDJWRPUKMD-DQLDELGASA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (25237706)
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)
triptonoterpenol (CHEBI:132613) has role plant metabolite (CHEBI:76924)
triptonoterpenol (CHEBI:132613) is a aromatic ether (CHEBI:35618)
triptonoterpenol (CHEBI:132613) is a cyclic ketone (CHEBI:3992)
triptonoterpenol (CHEBI:132613) is a phenols (CHEBI:33853)
triptonoterpenol (CHEBI:132613) is a primary alcohol (CHEBI:15734)
triptonoterpenol (CHEBI:132613) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(5β,10α)-11,18-dihydroxy-14-methoxyabieta-8(14),9(11),12-trien-3-one
Manual XrefsDatabases
FR2728466Patent
WO9113627Patent
Registry NumbersSources
CAS:110187-23-0ChemIDplus
Citations