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CHEBI:6358 - lactucin
| Formula | C15H16O5 |
| Net Charge | 0 |
| Average Mass | 276.288 |
| Monoisotopic Mass | 276.09977 |
| SMILES | [H][C@]12C(CO)=CC(=O)C1=C(C)C[C@H](O)[C@@]1([H])C(=C)C(=O)O[C@]21[H] |
| InChI | InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1 |
| InChIKey | VJQAFLAZRVKAKM-VZLIPTOUSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cichorium intybus (ncbitaxon:13427) | - | MetaboLights (MTBLS270) |
| Roles Classification |
|---|
| Biological Roles: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lactucin (CHEBI:6358) has role antimalarial (CHEBI:38068) |
| lactucin (CHEBI:6358) has role plant metabolite (CHEBI:76924) |
| lactucin (CHEBI:6358) has role sedative (CHEBI:35717) |
| lactucin (CHEBI:6358) is a azulenofuran (CHEBI:39433) |
| lactucin (CHEBI:6358) is a cyclic terpene ketone (CHEBI:36130) |
| lactucin (CHEBI:6358) is a enone (CHEBI:51689) |
| lactucin (CHEBI:6358) is a primary alcohol (CHEBI:15734) |
| lactucin (CHEBI:6358) is a secondary alcohol (CHEBI:35681) |
| lactucin (CHEBI:6358) is a sesquiterpene lactone (CHEBI:37667) |
| Incoming Relation(s) |
| 11,13-dihydro-8-deoxylactucin 15-glycoside (CHEBI:90274) has functional parent lactucin (CHEBI:6358) |
| 11β,13-dihydro-8-deoxylactucin (CHEBI:90279) has functional parent lactucin (CHEBI:6358) |
| 11β,13-dihydrolactucin (CHEBI:90267) has functional parent lactucin (CHEBI:6358) |
| 11β,13-dihydrolactucin 15-glycoside (CHEBI:90268) has functional parent lactucin (CHEBI:6358) |
| 11β,13-dihydrolactucin 15-oxalate (CHEBI:90270) has functional parent lactucin (CHEBI:6358) |
| 11β,13-dihydrolactucopicrin (CHEBI:90283) has functional parent lactucin (CHEBI:6358) |
| 11β,13-dihydrolactucopicrin 15-oxalate (CHEBI:90281) has functional parent lactucin (CHEBI:6358) |
| 8-deoxylactucin-15-glycoside (CHEBI:90273) has functional parent lactucin (CHEBI:6358) |
| lactucin 15-glycoside (CHEBI:90271) has functional parent lactucin (CHEBI:6358) |
| lactucin 15-oxalate (CHEBI:90272) has functional parent lactucin (CHEBI:6358) |
| lactucopicrin (CHEBI:90275) has functional parent lactucin (CHEBI:6358) |
| lactucopicrin 15-oxalate (CHEBI:90280) has functional parent lactucin (CHEBI:6358) |
| IUPAC Name |
|---|
| (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione |
| Synonym | Source |
|---|---|
| Lactucine | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C09489 | KEGG COMPOUND |
| C00003311 | KNApSAcK |
| HMDB0035814 | HMDB |
| Lactucin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:40523 | Reaxys |
| CAS:1891-29-8 | KEGG COMPOUND |
| CAS:1891-29-8 | ChemIDplus |
| Citations |
|---|