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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. 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. |
| 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 |
|---|---|
| 8β-hydroxyeudesma-4(14),11(13)-dien-12-oic acid γ-lactone | ChemIDplus |
| iso-alantolacton | ChEMBL |
| Isoalantolactone | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C00003306 | KNApSAcK |
| C09484 | KEGG COMPOUND |
| HMDB0035934 | HMDB |
| Citations |
|---|