Isocorydine
Representations & DB's id
| ||
| ChEBI: | CHEBI:6000 | |
|---|---|---|
| ChEMBL: | CHEMBL489525 | |
| PubChem: | 10143 | |
| IUPAC: | (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-11-ol | |
| Standard InChI: | InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1 | |
| Standard InChI Key: | QELDJEKNFOQJOY-ZDUSSCGKSA-N | |
| SMILES: | COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 | |
Molecular propeties
| ||
| AlogP: | 3.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 341.16 | |
| Topological polar surface area: | 51.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |