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
Bile secretion
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Phytochemical compounds
  Alkaloids
   C06526  Quinine
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]
 Substrates
  CYP3A4
   Quinine
    D08460  Quinine (BAN)
  CYP3A5
   Quinine
    D08460  Quinine (BAN)
  CYP3A7
   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: 
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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