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CHEBI:90275 - lactucopicrin
| Formula | C23H22O7 |
| Net Charge | 0 |
| Average Mass | 410.422 |
| Monoisotopic Mass | 410.13655 |
| SMILES | [H][C@]12C(CO)=CC(=O)C1=C(C)C[C@H](OC(=O)Cc1ccc(O)cc1)[C@@]1([H])C(=C)C(=O)O[C@]21[H] |
| InChI | InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1 |
| InChIKey | UMVSOHBRAQTGQI-XGARDCMYSA-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: | 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) |
| lactucopicrin (CHEBI:90275) has functional parent 4-hydroxyphenylacetic acid (CHEBI:18101) |
| lactucopicrin (CHEBI:90275) has functional parent lactucin (CHEBI:6358) |
| lactucopicrin (CHEBI:90275) has role antimalarial (CHEBI:38068) |
| lactucopicrin (CHEBI:90275) has role plant metabolite (CHEBI:76924) |
| lactucopicrin (CHEBI:90275) has role sedative (CHEBI:35717) |
| lactucopicrin (CHEBI:90275) is a azulenofuran (CHEBI:39433) |
| lactucopicrin (CHEBI:90275) is a cyclic terpene ketone (CHEBI:36130) |
| lactucopicrin (CHEBI:90275) is a enone (CHEBI:51689) |
| lactucopicrin (CHEBI:90275) is a phenols (CHEBI:33853) |
| lactucopicrin (CHEBI:90275) is a primary alcohol (CHEBI:15734) |
| lactucopicrin (CHEBI:90275) is a sesquiterpene lactone (CHEBI:37667) |
| IUPAC Name |
|---|
| (3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate |
| Synonyms | Source |
|---|---|
| Lactopicrin | ChemIDplus |
| (+)-Lactucopicrin | KNApSAcK |
| Lactupicrin | KNApSAcK |
| Manual Xrefs | Databases |
|---|---|
| C00003312 | KNApSAcK |
| HMDB0035828 | HMDB |
| Lactucopicrin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1358541 | Reaxys |
| CAS:65725-11-3 | ChemIDplus |
| CAS:65725-11-3 | KNApSAcK |
| Citations |
|---|