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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: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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. |
| Applications: | sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. 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. |
| 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 |
|---|---|
| C00003311 | KNApSAcK |
| C09489 | KEGG COMPOUND |
| HMDB0035814 | HMDB |
| Lactucin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:40523 | Reaxys |
| CAS:1891-29-8 | KEGG COMPOUND |
| CAS:1891-29-8 | ChemIDplus |
| Citations |
|---|