| Compound | Scopoletin |
| NPACT-Id | NPACT00941 |
| IUPAC | 7-hydroxy-6-methoxychromen-2-one |
| Synonyms | Gelseminic acid; Chrysatropic acid; 6-Methylesculetin; Murrayetin; Scopoletine; Scopoletol; Escopoletin; beta-Methylesculetin |
| PubChem Id | 5280460 |
| Class | Benzopyranoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | AHR | birc5a | CASP3 | CCND1 | CYPIA1 | MMP2 | MYC | PCNA | STAT3 | TIMP2 | TP53 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| InChi | 1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| SMILES | o1c2c(cc(OC)c(O)c2)ccc1=O |
|
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C2C([H])=C([H])C(=O)OC2=C1[H] |
| CAS No. | 92-61-5 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | 000092615 |
| CTD | D012603 |
| HIT | - |
| NCI-60 GI50 data | 92-61-5 |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis
Database, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets
Database, TimTec, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |