| Compound | Mollugin |
| NPACT-Id | NPACT00775 |
| IUPAC | methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate |
| Synonyms | Rubimaillin;Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate;2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester |
| PubChem Id | 124219 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | VLGATXOTCNBWIT-UHFFFAOYSA-N |
| InChi | 1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3 |
| SMILES | O1C(C=Cc2c1c1c(c(O)c2C(=O)OC)cccc1)(C)C |
|
SMART | [H]OC1=C(C(=O)OC([H])([H])[H])C2=C(O[C@](C([H])=C2[H])(C([H])([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12 |
| CAS No. | 55481-88-4 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C046245 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, ChemFrog, ChemMol, IS Chemical Technology, ZINC, |
| 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 |