KEGG   COMPOUND: C01851Help
Entry
C01851                      Compound                               

Name
Scopolamine;
(-)-Hyoscine
Formula
C17H21NO4
Exact mass
303.1471
Mol weight
303.3529
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Tropane, piperidine and pyridine alkaloid biosynthesis
Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C01851  Scopolamine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Tropan alkaloids
    C01851  Scopolamine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A04 ANTIEMETICS AND ANTINAUSEANTS
   A04A ANTIEMETICS AND ANTINAUSEANTS
    A04AD Other antiemetics
     A04AD01 Scopolamine
      D00138  Scopolamine (INN)
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CM Other hypnotics and sedatives
     N05CM05 Scopolamine
      D00138  Scopolamine (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FA Anticholinergics
     S01FA02 Scopolamine
      D00138  Scopolamine (INN)
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Scopolamine
    D00138  Scopolamine (INN)
 Gastrointestinal Agents
  Antispasmodics, Gastrointestinal
   Scopolamine
    D00138  Scopolamine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Scopolamine
    D00138  Scopolamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Scopolamine
      D00138  Scopolamine (INN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    D00138  Scopolamine (INN)
BRITE hierarchy
Other DBs
CAS: 
51-34-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1y C    26.9500  -18.0600
            2   C1y C    27.2300  -16.8700
            3   C1y C    28.0700  -17.7800
            4   O2x O    25.9000  -16.6600
            5   C1y C    28.4200  -16.5900
            6   N1y N    27.1600  -15.2600
            7   C1x C    29.9600  -17.7800
            8   C1x C    29.6800  -16.5900
            9   C1a C    27.1600  -13.9300
            10  C1y C    30.9400  -18.2700
            11  O7a O    31.9900  -19.1800
            12  C7a C    33.3900  -19.1800
            13  O6a O    34.0900  -20.3700
            14  C1c C    34.0900  -17.9900
            15  C8y C    35.4900  -17.9900
            16  C8x C    36.1900  -19.1800
            17  C8x C    37.5900  -19.1800
            18  C8x C    38.2900  -17.9900
            19  C8x C    37.5900  -16.8000
            20  C8x C    36.1900  -16.8000
            21  C1b C    33.3900  -16.7300
            22  O1a O    34.0900  -15.5400
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 1
            10   10  11 1 #Down
            11    2   4 1
            12    5   6 1
            13    8  10 1
            14   11  12 1
            15   12  13 2
            16   12  14 1
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   15  20 1
            24   14  21 1 #Down
            25   21  22 1

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