General Information of the Compound
| Compound ID |
CP0078400
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| Compound Name |
QUININE
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| Synonyms |
(+)-Quinidine
(-)-Quinine
(1R)-(6-Methoxyquinolin-4-yl)((1S,4S,5R)-5-vinylquinuclidin-2-yl)methanol
(3A,8A,9r)-6'-methoxycinchonan-9-ol
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
(8-alpha,9R)-6'-Methoxycinchonan-9-ol
(8.alpha.,9R)-6'-Methoxycinchonan-9-ol
(8S,9R)-6'-Methoxycinchonan-9-ol
(8S,9R)-Quinine
(9R)-6'-methoxy-8alpha-cinchonan-9-ol
(R)-(-)-Quinine, 6-methoxycinchonidine
(R)-(-)-quinine
(R)-(6-Methoxy-quinolin-4-yl)-((2S,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
(R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol
(R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
(S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
6'-Methoxycinchonan-9-ol
6'-Methoxycinchonidine
6'-Methoxycinchonine
6-Methoxycinchonine
Aflukin
Alpha-(6-Methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol
Beta-Quinine
Biquinate (*Bisulfate heptathydrate*)
Chinin
Chinin [German]
Chinine
Chininum
Cin-Quin
Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate
Coco-Quinine
Conchinin
Conquinine
Dentojel (*Bisulfate heptathydrate*)
IBS-L0034250
Kinder Quinina
Kinder Quinina (TN)
LT00645788;Q0028
Legatrin (TN)
QUININE MONO HCL
Quinamm (*2:1 Sulfate salt*), dihydrate
Quindan
Quine (*2:1 Sulfate salt*, dihydrate)
Quinidex
Quinidine
Quinimax
Quinina
Quinine
Quinine (BAN)
Quinine Dab
Quinine [BAN]
Quinine anhydrous
Quinine bisulfate
Quinine sulfate
Quinine sulphate
Quinine, Anhydrous
Quinine, polymers
Quinine, tannate
Quinineanhydrous
Quinoline alkaloid
Quinora
Quinsan (*2:1 Sulfate salt*), dihydrate
Quniacridine
SB01652
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
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| InChI |
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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| InChIKey |
LOUPRKONTZGTKE-WZBLMQSHSA-N
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| CAS |
1407-83-6
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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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT06157, Solute carrier family 22 member 1
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Protein ID: PT06133, Solute carrier organic anion transporter family member 1A4
Clinical Information about the Compound