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CHEBI:132315 - triptohypol A

ChEBI IDCHEBI:132315
ChEBI Nametriptohypol A
Stars
DefinitionA pentacyclic triterpenoid with formula C30H40O6, originally isolated from Tripterygium hypoglaucum.
Last Modified12 April 2017
Submitterliuqingping
DownloadsMolfile
FormulaC30H40O6
Net Charge0
Average Mass496.644
Monoisotopic Mass496.28249
SMILES[H][C@@]12C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]1(C)C3=CC(=O)c4c(cc(O)c(OC)c4CO)[C@]3(C)CC[C@@]21C
InChIInChI=1S/C30H40O6/c1-26-7-8-27(2,25(34)35)15-22(26)30(5)12-10-28(3)18-13-20(33)24(36-6)17(16-31)23(18)19(32)14-21(28)29(30,4)11-9-26/h13-14,22,31,33H,7-12,15-16H2,1-6H3,(H,34,35)/t22-,26-,27-,28+,29-,30+/m1/s1
InChIKeyQWODMBKBVGCKFL-NLVUKCNFSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - Article (Duan, H., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. (1997) Di- and triterpenoids from Tripterygium hypoglaucum. Phytochemistry 46, 535-543.)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
triptohypol A (CHEBI:132315) has role plant metabolite (CHEBI:76924)
triptohypol A (CHEBI:132315) is a aromatic primary alcohol (CHEBI:33857)
triptohypol A (CHEBI:132315) is a carbopolycyclic compound (CHEBI:35294)
triptohypol A (CHEBI:132315) is a cyclic terpene ketone (CHEBI:36130)
triptohypol A (CHEBI:132315) is a enone (CHEBI:51689)
triptohypol A (CHEBI:132315) is a guaiacols (CHEBI:134251)
triptohypol A (CHEBI:132315) is a oxo monocarboxylic acid (CHEBI:35871)
triptohypol A (CHEBI:132315) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(2R,4aS,6aS,12bR,14aS,14bR)-11-hydroxy-9-(hydroxymethyl)-10-methoxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Manual XrefsDatabases
101936043PubChem Compound
Registry NumbersSources
Reaxys:7840168Reaxys