Ethylmorphine
Representations & DB's id
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| ChEBI: | CHEBI:4902 | |
|---|---|---|
| ChEMBL: | CHEMBL1712170 | |
| PubChem: | 5359271 | |
| IUPAC: | (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol | |
| Standard InChI: | InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1 | |
| Standard InChI Key: | OGDVEMNWJVYAJL-LEPYJNQMSA-N | |
| SMILES: | CCOc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C | |
Molecular propeties
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| AlogP: | 1.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 313.17 | |
| Topological polar surface area: | 41.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.579 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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