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: D00138
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01100  Metabolic pathways
map01110  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)
BRITE hierarchy
Other DBs
CAS: 51-34-3
PubChem: 4968
ChEBI: 16794
ChEMBL: CHEMBL1187846 CHEMBL1906925 CHEMBL569713
KNApSAcK: C00002292
3DMET: B04818
NIKKAJI: J47.151H
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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