CHEBI:132338 - triptohypol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triptohypol B
ChEBI ID CHEBI:132338
Definition A pentacyclic triterpenoid with formula C30H40O5, originally isolated from Tripterygium doianum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C30H40O5
Net Charge 0
Average Mass 480.637
Monoisotopic Mass 480.28757
InChI InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)35-7)28(4)11-13-30(6)22-16-27(3,25(33)34)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32H,8-13,16H2,1-7H3,(H,33,34)/t22-,26-,27-,28+,29-,30+/m1/s1
InChIKey KFGGKCFEQGLWFO-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)C)C)C)C
Metabolite of Species Details
Tripterygium doianum (NCBI:txid859951) Found in branch (BTO:0000148). See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing triptohypol B (CHEBI:132338) has role plant metabolite (CHEBI:76924)
triptohypol B (CHEBI:132338) is a aromatic ether (CHEBI:35618)
triptohypol B (CHEBI:132338) is a cyclic terpene ketone (CHEBI:36130)
triptohypol B (CHEBI:132338) is a enone (CHEBI:51689)
triptohypol B (CHEBI:132338) is a monocarboxylic acid (CHEBI:25384)
triptohypol B (CHEBI:132338) is a pentacyclic triterpenoid (CHEBI:25872)
triptohypol B (CHEBI:132338) is a phenols (CHEBI:33853)
IUPAC Name
(2R,4aS,6aS,12bR,14aS,14bR)-11-hydroxy-10-methoxy-2,4a,6a,9,12b,14a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Synonym Source
(-)-Triptohypol B KNApSAcK
Manual Xrefs Databases
101936044 PubChem
C00037955 KNApSAcK
View more database links
Registry Number Type Source
198129-84-9 CAS Registry Number KNApSAcK
Citation Waiting for Citations Type Source
12165306 PubMed citation Europe PMC
Last Modified
24 October 2016