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CHEBI:38344 - hellebrigenin
| Formula | C24H32O6 |
| Net Charge | 0 |
| Average Mass | 416.514 |
| Monoisotopic Mass | 416.21989 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])c3ccc(=O)oc3)[C@]1([H])CC[C@]1(O)C[C@@H](O)CC[C@@]12C=O |
| InChI | InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1 |
| InChIKey | TVKPTWJPKVSGJB-XHCIOXAKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rhinella jimi (ncbitaxon:706180) | - | PubMed (18588907) |
| Roles Classification |
|---|
| Biological Roles: | 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). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| Applications: | antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hellebrigenin (CHEBI:38344) has functional parent 5β-bufanolide (CHEBI:20661) |
| hellebrigenin (CHEBI:38344) has role animal metabolite (CHEBI:75767) |
| hellebrigenin (CHEBI:38344) has role antileishmanial agent (CHEBI:70868) |
| hellebrigenin (CHEBI:38344) has role antineoplastic agent (CHEBI:35610) |
| hellebrigenin (CHEBI:38344) has role apoptosis inducer (CHEBI:68495) |
| hellebrigenin (CHEBI:38344) has role autophagy inducer (CHEBI:138880) |
| hellebrigenin (CHEBI:38344) has role plant metabolite (CHEBI:76924) |
| hellebrigenin (CHEBI:38344) is a 14β-hydroxy steroid (CHEBI:36862) |
| hellebrigenin (CHEBI:38344) is a 19-oxo steroid (CHEBI:38149) |
| hellebrigenin (CHEBI:38344) is a 3β-hydroxy steroid (CHEBI:36836) |
| hellebrigenin (CHEBI:38344) is a 5β-hydroxy steroid (CHEBI:38195) |
| hellebrigenin (CHEBI:38344) is a steroid aldehyde (CHEBI:131565) |
| hellebrigenin (CHEBI:38344) is a steroid lactone (CHEBI:26766) |
| Incoming Relation(s) |
| hellebrin (CHEBI:28271) has functional parent hellebrigenin (CHEBI:38344) |
| IUPAC Name |
|---|
| 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide |
| Synonyms | Source |
|---|---|
| (3β,5β)-3,5,14-trihydroxy-19-oxobufa-20,22-dienolide | ChEBI |
| Bufotalidin | ChemIDplus |
| Bufotalidin | KEGG COMPOUND |
| Gellebrigenin | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C00033905 | KNApSAcK |
| C16969 | KEGG COMPOUND |
| LMST01130004 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:56259 | Beilstein |
| CAS:465-90-7 | KEGG COMPOUND |
| CAS:465-90-7 | ChemIDplus |
| Citations |
|---|