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CHEBI:6088 - jervine
| Formula | C27H39NO3 |
| Net Charge | 0 |
| Average Mass | 425.613 |
| Monoisotopic Mass | 425.29299 |
| SMILES | [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])C(=O)C1=C(C)[C@]3(CC[C@]12[H])O[C@]1([H])C[C@H](C)CN[C@@]1([H])[C@H]3C |
| InChI | InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1 |
| InChIKey | CLEXYFLHGFJONT-DNMILWOZSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Veratrum dahuricum (ncbitaxon:386441) | - | PubMed (20013819) | |
| Veratrum patulum (ncbitaxon:1049916) | - | PubMed (9748369) | |
| Veratrum taliense (ncbitaxon:203103) | - | PubMed (17260275) | |
| Veratrum viride (ncbitaxon:72650) | - | DOI (10.1016/S0021-9258(17)30845-1) |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. teratogenic agent A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. autophagy inducer Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| jervine (CHEBI:6088) has role anti-inflammatory agent (CHEBI:67079) |
| jervine (CHEBI:6088) has role antifungal agent (CHEBI:35718) |
| jervine (CHEBI:6088) has role antineoplastic agent (CHEBI:35610) |
| jervine (CHEBI:6088) has role antioxidant (CHEBI:22586) |
| jervine (CHEBI:6088) has role apoptosis inducer (CHEBI:68495) |
| jervine (CHEBI:6088) has role autophagy inducer (CHEBI:138880) |
| jervine (CHEBI:6088) has role Hedgehog signaling pathway inhibitor (CHEBI:140921) |
| jervine (CHEBI:6088) has role plant metabolite (CHEBI:76924) |
| jervine (CHEBI:6088) has role teratogenic agent (CHEBI:50905) |
| jervine (CHEBI:6088) is a organic heterohexacyclic compound (CHEBI:51914) |
| jervine (CHEBI:6088) is a secondary alcohol (CHEBI:35681) |
| jervine (CHEBI:6088) is a secondary amino compound (CHEBI:50995) |
| jervine (CHEBI:6088) is a spiro compound (CHEBI:33599) |
| jervine (CHEBI:6088) is a steroid alkaloid (CHEBI:26767) |
| IUPAC Name |
|---|
| (22S,23R)-3β-hydroxy-17β-17,23-epoxyveratraman-11-one |
| Synonyms | Source |
|---|---|
| 11-ketocyclopamine | ChEBI |
| (3β,23β)-17,23-epoxy-3-hydroxyveratraman-11-one | ChEBI |
| 3β-hydroxy-17β,23β-epoxyveratraman-11-one | ChEBI |
| jervin | CAS |
| Manual Xrefs | Databases |
|---|---|
| C00002253 | KNApSAcK |
| C10811 | KEGG COMPOUND |
| HMDB0253731 | HMDB |
| Jervine | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:59109 | Reaxys |
| CAS:469-59-0 | CAS |
| Citations |
|---|