EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5650 - helveticoside
| Formula | C29H42O9 |
| Net Charge | 0 |
| Average Mass | 534.646 |
| Monoisotopic Mass | 534.28288 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)CC[C@@]12C=O |
| InChI | InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1 |
| InChIKey | QBILRDAMJUPXCX-AGAUEGNUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Erysimum canescens (ncbitaxon:489728) | - | PubMed (13965884) | |
| Descurainia sophia (ncbitaxon:89411) | seed (BTO:0001226) | PubMed (32147288) | |
| Erysimum cheiranthoides (ncbitaxon:330168) | - | PubMed (33180277) | |
| Adonis aestivalis (ncbitaxon:113211) | aerial part (BTO:0001658) | PubMed (1368415) |
| Roles Classification |
|---|
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| helveticoside (CHEBI:5650) has functional parent strophanthidin (CHEBI:38178) |
| helveticoside (CHEBI:5650) has role antineoplastic agent (CHEBI:35610) |
| helveticoside (CHEBI:5650) has role apoptosis inducer (CHEBI:68495) |
| helveticoside (CHEBI:5650) has role plant metabolite (CHEBI:76924) |
| helveticoside (CHEBI:5650) is a 14β-hydroxy steroid (CHEBI:36862) |
| helveticoside (CHEBI:5650) is a 5β-hydroxy steroid (CHEBI:38195) |
| helveticoside (CHEBI:5650) is a cardenolide glycoside (CHEBI:38092) |
| helveticoside (CHEBI:5650) is a digitoxoside (CHEBI:36800) |
| helveticoside (CHEBI:5650) is a monosaccharide derivative (CHEBI:63367) |
| helveticoside (CHEBI:5650) is a steroid aldehyde (CHEBI:131565) |
| helveticoside (CHEBI:5650) is a steroid lactone (CHEBI:26766) |
| IUPAC Name |
|---|
| 3β-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide |
| Synonyms | Source |
|---|---|
| helveticoside | KEGG COMPOUND |
| strophanthidin 3-O-β-D-digitoxoside | KEGG COMPOUND |
| strophanthidin 3β-digitoxoside | ChEBI |
| erysimin | ChEBI |
| (3β,5β)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | ChEBI |
| erysimotoxin | ChEBI |
| Citations |
|---|