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CHEBI:1729 - 4'-demethyldeoxypodophyllotoxin
| Formula | C21H20O7 |
| Net Charge | 0 |
| Average Mass | 384.384 |
| Monoisotopic Mass | 384.12090 |
| SMILES | [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3c(cc1C2)OCO3 |
| InChI | InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1 |
| InChIKey | RFDMNXDDRXVJTM-RQUSPXKASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Dysosma versipellis (ncbitaxon:93611) | root (BTO:0001188) | PubMed (17256902) | |
| Polygala macradenia (ncbitaxon:174543) | - | PubMed (853371) |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) has role antineoplastic agent (CHEBI:35610) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) has role antioxidant (CHEBI:22586) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) has role immunosuppressive agent (CHEBI:35705) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) has role plant metabolite (CHEBI:76924) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) is a furonaphthodioxole (CHEBI:50307) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) is a lignan (CHEBI:25036) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) is a methoxybenzenes (CHEBI:51683) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) is a phenols (CHEBI:33853) |
| 4'-demethyldeoxypodophyllotoxin (CHEBI:1729) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one |
| Synonyms | Source |
|---|---|
| A 80198 | ChemIDplus |
| (−)-4'-demethyldeoxypodophyllotoxin | ChEBI |
| 4'-desmethyldesoxypodophyllotoxin | ChEBI |
| UniProt Name | Source |
|---|---|
| (−)-4'-desmethyl-deoxypodophyllotoxin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C10552 | KEGG COMPOUND |
| C00002594 | KNApSAcK |
| CPD-18756 | MetaCyc |
| CN101647842 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1356937 | Reaxys |
| CAS:3590-93-0 | KEGG COMPOUND |
| CAS:3590-93-0 | ChemIDplus |
| Citations |
|---|