Levallorphan
Representations & DB's id
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| ChEBI: | CHEBI:6431 | |
|---|---|---|
| ChEMBL: | CHEMBL1254682 | |
| PubChem: | 5359371 | |
| IUPAC: | (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol | |
| Standard InChI: | InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1 | |
| Standard InChI Key: | OZYUPQUCAUTOBP-QXAKKESOSA-N | |
| SMILES: | C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2 | |
Molecular propeties
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| AlogP: | 3.64 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 283.19 | |
| Topological polar surface area: | 23.5 | |
| 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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