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Pentazocine

AlkaPlorer ID: AK006376

Synonym: None

IUPAC Name: (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Structure

SMILES: CC(C)=CCN1CC[C@@]2(C)C3=CC(O)=CC=C3C[C@@H]1[C@@H]2C

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InChI: InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1

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InChIKey: VOKSWYLNZZRQPF-GDIGMMSISA-N

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Reference

PubChem CID: 441278

NPASS: NPC66177

Source

Species Genus Family Order Class Phylum Kingdom Domain
Papaver somniferum Papaver Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 285.43100000000004

TPSA？: 23.47

MolLogP？: 3.8826000000000014

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Sigma-1 receptor Ki 3.93 nM 10.1016/j.ejmech.2021.114038
Cavia porcellus Sigma-1 receptor Ki 4.3 nM 10.1016/j.ejmech.2021.114091
Cavia porcellus Sigma-1 receptor Ki 4.7 nM 10.1021/acs.jmedchem.0c01964
Cavia porcellus Sigma-1 receptor Ki 4.7 nM 10.1021/acsmedchemlett.9b00661
Cavia porcellus Sigma-1 receptor Ki 5.4 nM 10.1016/j.ejmech.2021.114079
Cavia porcellus Sigma-1 receptor Ki 5.4 nM 10.1039/d0md00307g
Cavia porcellus Sigma-1 receptor Ki 5.7 nM 10.1016/j.ejmech.2020.112950
Cavia porcellus Sigma-1 receptor Ki 5.7 nM 10.1016/j.ejmech.2021.113443
Cavia porcellus Sigma-1 receptor Ki 5.7 nM 10.1016/j.ejmech.2022.114113
Cavia porcellus Sigma-1 receptor Ki 5.7 nM 10.1016/j.ejmech.2022.114359
Homo sapiens Delta opioid receptor Ki nan None 10.1016/j.bmcl.2022.128860
Homo sapiens Kappa opioid receptor Ki 2.2 nM 10.1021/acs.jmedchem.0c01192
Homo sapiens Kappa opioid receptor Ki nan None 10.1016/j.bmcl.2022.128860
Homo sapiens Mu opioid receptor Ki 3.9 nM 10.1021/acs.jmedchem.0c01192
Homo sapiens Mu opioid receptor Ki nan None 10.1016/j.bmcl.2022.128860
Homo sapiens Sigma intracellular receptor 2 Ki 1465.0 nM 10.1016/j.bmcl.2022.128860
Homo sapiens Sigma intracellular receptor 2 Ki 1465.0 nM 10.1021/acsmedchemlett.9b00661
Homo sapiens Sigma intracellular receptor 2 Ki 1880.0 nM 10.1021/acs.jmedchem.0c01192
Homo sapiens Sigma opioid receptor Ki 4.7 nM 10.1016/j.bmcl.2022.128860
Homo sapiens Sigma opioid receptor Ki 12.1 nM 10.1021/acs.jmedchem.0c01192
Rattus norvegicus Sigma intracellular receptor 2 Ki 1465.0 nM 10.1016/j.ejmech.2021.114091
None Unchecked Ratio Ki 0.01 None 10.1016/j.bmcl.2022.128860

Metabolism Information