CHEBI:132336 - triptriolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triptriolide
ChEBI ID CHEBI:132336
Definition An abietane diterpenoid with formula C20H26O7, originally isolated from Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C20H26O7
Net Charge 0
Average Mass 378.417
Monoisotopic Mass 378.16785
InChI InChI=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
InChIKey DYVDZVMUDBCZSA-LZVGCMTRSA-N
SMILES O1[C@@]23[C@]4(O[C@H]4C[C@@]5([C@@]2(CCC6=C5COC6=O)C)[H])[C@H](O)[C@@]([C@H](O)[C@H]13)(C(C)C)O
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
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): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing triptriolide (CHEBI:132336) has role anti-inflammatory agent (CHEBI:67079)
triptriolide (CHEBI:132336) has role plant metabolite (CHEBI:76924)
triptriolide (CHEBI:132336) is a γ-lactone (CHEBI:37581)
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)
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 Xrefs Databases
58636974 PubChem
C00034731 KNApSAcK
US2004018260 Patent
WO0217931 Patent
View more database links
Registry Numbers Types Sources
137131-18-1 CAS Registry Number KNApSAcK
6826738 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10716597 PubMed citation Europe PMC
15008455 PubMed citation Europe PMC
1838954 PubMed citation Europe PMC
8328278 PubMed citation Europe PMC
IND21808921 Agricola citation Europe PMC
Last Modified
20 October 2016