EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5981 - isoalantolactone
| Formula | C15H20O2 |
| Net Charge | 0 |
| Average Mass | 232.323 |
| Monoisotopic Mass | 232.14633 |
| SMILES | [H][C@@]12C[C@@]3(C)CCCC(=C)[C@]3([H])C[C@]1([H])C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1 |
| InChIKey | CVUANYCQTOGILD-QVHKTLOISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inula helenium (ncbitaxon:55635) | root (BTO:0001188) | PubMed (25767328) |
| Roles Classification |
|---|
| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isoalantolactone (CHEBI:5981) has role antifungal agent (CHEBI:35718) |
| isoalantolactone (CHEBI:5981) has role apoptosis inducer (CHEBI:68495) |
| isoalantolactone (CHEBI:5981) has role plant metabolite (CHEBI:76924) |
| isoalantolactone (CHEBI:5981) is a eudesmane sesquiterpenoid (CHEBI:62508) |
| isoalantolactone (CHEBI:5981) is a sesquiterpene lactone (CHEBI:37667) |
| IUPAC Names |
|---|
| (3aR,4aS,8aR,9aR)-8a-methyl-3,5-bis(methylidene)decahydronaphtho[2,3-b]furan-2(3H)-one |
| eudesma-4(14),11(13)-dieno-12,8β-olactone |
| Synonyms | Source |
|---|---|
| Isoalantolactone | KEGG COMPOUND |
| iso-alantolacton | ChEMBL |
| 8β-hydroxyeudesma-4(14),11(13)-dien-12-oic acid γ-lactone | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C09484 | KEGG COMPOUND |
| HMDB0035934 | HMDB |
| C00003306 | KNApSAcK |
| Citations |
|---|