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CHEBI:66396 - monodictyochromone A
| Formula | C30H30O11 |
| Net Charge | 0 |
| Average Mass | 566.559 |
| Monoisotopic Mass | 566.17881 |
| SMILES | [H][C@@]1([C@@]2(C)CC(=O)c3c(ccc(-c4c(C)cc(O)c5c4O[C@](C)([C@]4([H])OC(=O)C[C@H]4O)CC5=O)c3O)O2)OC(=O)C[C@@H]1C |
| InChI | InChI=1S/C30H30O11/c1-12-7-15(31)23-17(33)10-30(4,28-16(32)9-21(36)39-28)41-26(23)22(12)14-5-6-19-24(25(14)37)18(34)11-29(3,40-19)27-13(2)8-20(35)38-27/h5-7,13,16,27-28,31-32,37H,8-11H2,1-4H3/t13-,16+,27+,28+,29+,30-/m0/s1 |
| InChIKey | PWCVOPRZVQEZQR-QICUOKTJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Monodictys putredinis (WORMS:100530) | - | PubMed (18939864) |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| monodictyochromone A (CHEBI:66396) has role antineoplastic agent (CHEBI:35610) |
| monodictyochromone A (CHEBI:66396) has role metabolite (CHEBI:25212) |
| monodictyochromone A (CHEBI:66396) has role P450 inhibitor (CHEBI:50183) |
| monodictyochromone A (CHEBI:66396) is a chromanone (CHEBI:38763) |
| monodictyochromone A (CHEBI:66396) is a secondary alcohol (CHEBI:35681) |
| monodictyochromone A (CHEBI:66396) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (2R,2'S)-5,5'-dihydroxy-2'-[(2R,3R)-3-hydroxy-5-oxotetrahydrofuran-2-yl]-2,2',7'-trimethyl-2-[(2R,3S)-3-methyl-5-oxotetrahydrofuran-2-yl]-2,2',3,3'-tetrahydro-4H,4'H-6,8'-bichromene-4,4'-dione |
| Citations |
|---|