Methyl 18-Hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-Dodecahydroyohimban-19-Carboxylate;Hydrochloride
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1979348 | |
| PubChem: | 12304060 | |
| IUPAC: | methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride | |
| Standard InChI: | InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H | |
| Standard InChI Key: | PIPZGJSEDRMUAW-UHFFFAOYSA-N | |
| SMILES: | COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1.Cl | |
Molecular propeties
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| AlogP: | 2.65 | |
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| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 354.19 | |
| Topological polar surface area: | 65.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.571 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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