General Information of the Compound
| Compound ID |
CP0159328
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| Compound Name |
3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol
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| Synonyms |
(+)-O-Desmethyltramadol
(-)-O-Desmethyl Tramadol
144830-15-9
2-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)cyclohexanol
3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol
3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl}phenol
80456-81-1
BDBM50176258
BDBM50176263
CHEMBL1400
CHEMBL201556
CTK8E8372
Mono-O-demethyltramadol
O-DESMETHYL TRAMADOL
O-Demethyl tramadol
O-Desmethyltramadol
Phenol, 3-(2-((dimethylamino)me
SCHEMBL2517055
UWJUQVWARXYRCG-HIFRSBDPSA-N
ZINC2509756
tramadol M1 metabolite
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| Structure |
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| Formula |
C15H23NO2
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| Molecular Weight |
249.354
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| Canonical SMILES |
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
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| InChI |
InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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| InChIKey |
UWJUQVWARXYRCG-HIFRSBDPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound