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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: | 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). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. |
| 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 |
|---|