EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:132314 - demethylzeylasteral
| Formula | C29H36O6 |
| Net Charge | 0 |
| Average Mass | 480.601 |
| Monoisotopic Mass | 480.25119 |
| SMILES | [H]C(=O)c1c(O)c(O)cc2c1C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tripterygium wilfordii (ncbitaxon:458696) | - | PubMed (22874791) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | nephroprotective agent Any protective agent that is able to prevent damage to the kidney. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
| Citations |
|---|