CHEBI:132315 - triptohypol A

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ChEBI Name triptohypol A
ChEBI ID CHEBI:132315
Definition A pentacyclic triterpenoid with formula C30H40O6, originally isolated from Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H40O6
Net Charge 0
Average Mass 496.636
Monoisotopic Mass 496.28249
InChI InChI=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
InChIKey QWODMBKBVGCKFL-NLVUKCNFSA-N
SMILES O=C1C=C2[C@@]3([C@]([C@]4([C@@](CC3)(CC[C@](C4)(C(=O)O)C)C)[H])(CC[C@]2(C=5C1=C(C(OC)=C(O)C5)CO)C)C)C
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) See: 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(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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.
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ChEBI Ontology
Outgoing 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 Xref Database
101936043 PubChem
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Registry Number Type Source
7840168 Reaxys Registry Number Reaxys
Last Modified
12 April 2017