KEGG   COMPOUND: C06526Help
Entry
C06526                      Compound                               

Name
Quinine;
(-)-Quinine
Formula
C20H24N2O2
Exact mass
324.1838
Mol weight
324.4168
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Biosynthesis of alkaloids derived from shikimate pathway
Taste transduction
Bile secretion
Enzyme
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BC Methanolquinolines
     P01BC01 Quinine
      D08460  Quinine (BAN)
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Quinine
    D08460  Quinine (BAN)
Antiinfectives [BR:br08307]
 Antiparasitics
  Antmalarials
   Others
    Methanolquinolines
     Quinine
      D08460  Quinine (BAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Quinine
    D08460  Quinine (BAN)
  CYP3A5
   Quinine
    D08460  Quinine (BAN)
  CYP3A7
   Quinine
    D08460  Quinine (BAN)
 Transporter inhibitors
  SLC22A1
   Quinine
    D08460  Quinine (BAN)
 Transporter substrates
  SLC22A1
   Quinine
    D08460  Quinine (BAN)
  SLC22A2
   Quinine
    D08460  Quinine (BAN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Quinoline alkaloids
    D08460  Quinine (BAN)
BRITE hierarchy
Other DBs
CAS: 
130-95-0
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    25.2138  -26.7819
            2   C8y C    26.4311  -26.0855
            3   C8y C    25.2078  -28.1809
            4   C8x C    24.0081  -26.0795
            5   C1c C    26.4370  -24.6865
            6   C8x C    27.6427  -26.7878
            7   C8x C    24.0081  -28.8831
            8   N5x N    26.4194  -28.8831
            9   C8y C    22.7906  -26.7819
            10  C1y C    27.6544  -23.9901
            11  O1a O    25.2255  -23.9784
            12  C8x C    27.6369  -28.1924
            13  C8x C    22.7906  -28.1809
            14  O2a O    21.5790  -26.0795
            15  N1y N    29.0885  -23.1180
            16  C1x C    26.9229  -22.9540
            17  C1a C    21.5790  -24.6807
            18  C1x C    29.0885  -21.8830
            19  C1x C    30.5868  -23.9198
            20  C1y C    28.3333  -22.1170
            21  C1y C    28.3393  -21.1280
            22  C1x C    29.8903  -22.8136
            23  C2b C    27.8124  -19.8286
            24  C2a C    28.6728  -18.7222
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 2
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1 #Up
            23   23  24 2
            24    8  12 2
            25    9  13 1
            26   20  21 1
            27   20  22 1

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