| Compound | Fumarprotocetraric acid |
| NPACT-Id | NPACT01211 |
| IUPAC | - |
| Synonyms | 10-formyl-3,9-dihydroxy-4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]oxymethyl]-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid;2-butenedioic acid, mono[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester, (2E)-;9-({[(2E)-3-carboxyprop-2-enoyl]oxy}methyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid; |
| PubChem Id | 5317419 |
| Class | Unknown |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | VEGGRTFDFMUBPD-ONEGZZNKSA-N |
| InChi | 1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+ |
| SMILES | O1c2c(OC(=O)c3c1c(c(O)cc3C)C=O)c(c(O)c(c2C)C(=O)O)COC(=O)/C=C/C(=O)O |
|
SMART | [H]OC(=O)C([H])=C(/[H])C(=O)OC([H])([H])C1=C(O[H])C(C(=O)O[H])=C(C2=C1OC(=O)C1=C(O2)C(C([H])=O)=C(O[H])C([H])=C1C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 489-50-9 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000489509 |
| CTD | C026307 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |