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CHEBI:132340 - triptohypol C

ChEBI IDCHEBI:132340
ChEBI Nametriptohypol C
Stars
DefinitionA pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii.
Last Modified25 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC29H40O4
Net Charge0
Average Mass452.635
Monoisotopic Mass452.29266
SMILES[H][C@@]12C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]1(C)C3=CCc4c(cc(O)c(O)c4C)[C@]3(C)CC[C@@]21C
InChIInChI=1S/C29H40O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h8,15,22,30-31H,7,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
InChIKeyWZAUFGYINZYCKH-JJWQIEBTSA-N
Species of MetaboliteComponentSourceComments
Tripterygium regelii (ncbitaxon:123485) bark (BTO:0001301) PubMed (20167482)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
ChEBI Ontology
Outgoing Relation(s)
triptohypol C (CHEBI:132340) has role apoptosis inducer (CHEBI:68495)
triptohypol C (CHEBI:132340) has role plant metabolite (CHEBI:76924)
triptohypol C (CHEBI:132340) is a benzenediols (CHEBI:33570)
triptohypol C (CHEBI:132340) is a monocarboxylic acid (CHEBI:25384)
triptohypol C (CHEBI:132340) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(2R,4aS,6aS,12bS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Synonym  Source
dihydrocelastrolSUBMITTER
Manual XrefsDatabases
10411574PubChem Compound
Registry NumbersSources
Reaxys:3181751Reaxys
Citations