CHEBI:132314 - demethylzeylasteral

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name demethylzeylasteral
ChEBI ID CHEBI:132314
Definition A carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C29H36O6
Net Charge 0
Average Mass 480.594
Monoisotopic Mass 480.25119
InChI InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1
InChIKey ZDZSFWLPCFRASW-CPISFEQASA-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(O)=C(O)C5)C([H])=O)C)C)C
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) 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.
EC 2.4.1.17 (glucuronosyltransferase) inhibitor
A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of glucuronosyltransferase (EC 2.4.1.17).
immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Application(s): immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
nephroprotective agent
Any protective agent that is able to prevent damage to the kidney.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing demethylzeylasteral (CHEBI:132314) has role anti-inflammatory agent (CHEBI:67079)
demethylzeylasteral (CHEBI:132314) has role EC 2.4.1.17 (glucuronosyltransferase) inhibitor (CHEBI:133811)
demethylzeylasteral (CHEBI:132314) has role immunosuppressive agent (CHEBI:35705)
demethylzeylasteral (CHEBI:132314) has role nephroprotective agent (CHEBI:76595)
demethylzeylasteral (CHEBI:132314) has role plant metabolite (CHEBI:76924)
demethylzeylasteral (CHEBI:132314) is a arenecarbaldehyde (CHEBI:33855)
demethylzeylasteral (CHEBI:132314) is a benzenediols (CHEBI:33570)
demethylzeylasteral (CHEBI:132314) is a carbopolycyclic compound (CHEBI:35294)
demethylzeylasteral (CHEBI:132314) is a cyclic ketone (CHEBI:3992)
demethylzeylasteral (CHEBI:132314) is a enone (CHEBI:51689)
demethylzeylasteral (CHEBI:132314) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name
(2R,4aS,6aS,12bR,14aS,14bR)-9-formyl-10,11-dihydroxy-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 Xrefs Databases
10322911 PubChem
C00030109 KNApSAcK
View more database links
Registry Numbers Types Sources
107316-88-1 CAS Registry Number KNApSAcK
6756771 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12600689 PubMed citation Europe PMC
19383554 PubMed citation Europe PMC
22874791 PubMed citation Europe PMC
23807732 PubMed citation Europe PMC
26208003 PubMed citation Europe PMC
27259309 PubMed citation Europe PMC
8658703 PubMed citation Europe PMC
Last Modified
25 October 2016