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CHEBI:74867 - β-peltatin
| Formula | C22H22O8 |
| Net Charge | 0 |
| Average Mass | 414.410 |
| Monoisotopic Mass | 414.13147 |
| SMILES | [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3c(c(O)c1C2)OCO3 |
| InChI | InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1 |
| InChIKey | HLBPOYVRLSXWJJ-PDSMFRHLSA-N |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-peltatin (CHEBI:74867) has functional parent α-peltatin (CHEBI:10324) |
| β-peltatin (CHEBI:74867) has role antineoplastic agent (CHEBI:35610) |
| β-peltatin (CHEBI:74867) has role plant metabolite (CHEBI:76924) |
| β-peltatin (CHEBI:74867) is a furonaphthodioxole (CHEBI:50307) |
| β-peltatin (CHEBI:74867) is a lignan (CHEBI:25036) |
| β-peltatin (CHEBI:74867) is a organic heterotetracyclic compound (CHEBI:38163) |
| β-peltatin (CHEBI:74867) is a phenols (CHEBI:33853) |
| β-peltatin (CHEBI:74867) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (5R,5aR,8aR)-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one |
| Synonyms | Source |
|---|---|
| AI3-50532 | ChemIDplus |
| NSC 24819 | ChemIDplus |
| peltatin methyl ether | ChemIDplus |
| BRN 0099483 | ChemIDplus |
| β-peltatin A | ChemIDplus |
| (−)-β-peltatin | ChEBI |
| Citations |
|---|