14-(S)-2-Hydroxyl-3,9,10-Trimethoxytetrahyrdooxyprotoberberine
Representations & DB's id
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| ChEBI: | CHEBI:17772 | |
|---|---|---|
| ChEMBL: | CHEMBL2334891 | |
| PubChem: | 440229 | |
| IUPAC: | (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol | |
| Standard InChI: | InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 | |
| Standard InChI Key: | KDFKJOFJHSVROC-INIZCTEOSA-N | |
| SMILES: | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)OC | |
Molecular propeties
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| AlogP: | 3.07 | |
|---|---|---|
| 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 | |