5-O-Methylglycryol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL522369 | |
| PubChem: | 5319666 | |
| IUPAC: | 9-hydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one | |
| Standard InChI: | InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3 | |
| Standard InChI Key: | ACDSUMGMZHXCRO-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(=O)c3c(c2c(c1CC=C(C)C)OC)oc1c3ccc(c1)O | |
Molecular propeties
| ||
| AlogP: | 4.92 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 380.13 | |
| Topological polar surface area: | 78.1 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.227 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|