| Compound | Rhinacanthin D |
| NPACT-Id | NPACT00909 |
| IUPAC | [3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]1,3-benzodioxole-5-carboxylate |
| Synonyms | - |
| PubChem Id | 465430 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | PTGER3 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | OBJIGRUMXMZJRX-UHFFFAOYSA-N |
| InChi | 1S/C23H20O7/c1-23(2,11-28-22(27)13-7-8-17-18(9-13)30-12-29-17)10-16-19(24)14-5-3-4-6-15(14)20(25)21(16)26/h3-9,24H,10-12H2,1-2H3 |
| SMILES | O(CC(CC1=C(O)c2c(C(=O)C1=O)cccc2)(C)C)C(=O)c1cc2OCOc2cc1 |
|
SMART | [H]OC1=C(C(=O)C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])OC(=O)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H] |
| CAS No. | 179461-46-2 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C545500 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |