Dihydromorphine
Representations & DB's id
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| ChEBI: | CHEBI:4575 | |
|---|---|---|
| ChEMBL: | CHEMBL1500 | |
| PubChem: | 5359421 | |
| IUPAC: | (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol | |
| Standard InChI: | InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | |
| Standard InChI Key: | IJVCSMSMFSCRME-KBQPJGBKSA-N | |
| SMILES: | O[C@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | |
Molecular propeties
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| AlogP: | 1.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 287.15 | |
| Topological polar surface area: | 52.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.647 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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