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CHEBI:132336 - triptriolide

ChEBI IDCHEBI:132336
ChEBI Nametriptriolide
Stars
DefinitionAn abietane diterpenoid with formula C20H26O7, originally isolated from Tripterygium wilfordii.
Last Modified20 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILES[H][C@@]12C[C@@H]3O[C@@]34[C@H](O)[C@](O)(C(C)C)[C@H](O)[C@@H]3O[C@@]34[C@@]1(C)CCC1=C2COC1=O
InChIInChI=1S/C20H26O7/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,21,23-24H,4-7H2,1-3H3/t11-,12-,13+,14-,16+,17-,18-,19+,20+/m0/s1
InChIKeyDYVDZVMUDBCZSA-LZVGCMTRSA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) leaf (BTO:0000713) PubMed (10716597)
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.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
triptriolide (CHEBI:132336) has role anti-inflammatory agent (CHEBI:67079)
triptriolide (CHEBI:132336) has role plant metabolite (CHEBI:76924)
triptriolide (CHEBI:132336) is a abietane diterpenoid (CHEBI:36762)
triptriolide (CHEBI:132336) is a epoxide (CHEBI:32955)
triptriolide (CHEBI:132336) is a triol (CHEBI:27136)
triptriolide (CHEBI:132336) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1aS,1bS,6bS,7aS,8aS,9R,10S,11R,11aS)-9,10,11-trihydroxy-1b-methyl-10-(propan-2-yl)-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-one
Manual XrefsDatabases
58636974PubChem Compound
C00034731KNApSAcK
US2004018260Patent
WO0217931Patent
Registry NumbersSources
Reaxys:6826738Reaxys
CAS:137131-18-1KNApSAcK
Citations