KEGG   COMPOUND: C02046Help
Entry
C02046                      Compound                               

Name
L-Hyoscyamine;
L-Tropine tropate;
Daturine;
Duboisine
Formula
C17H23NO3
Exact mass
289.1678
Mol weight
289.3694
Structure
Mol fileKCF fileDB search
Remark
Same as: D00147
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
    C02046  L-Hyoscyamine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Tropan alkaloids
    C02046  L-Hyoscyamine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03B BELLADONNA AND DERIVATIVES, PLAIN
    A03BA Belladonna alkaloids, tertiary amines
     A03BA03 Hyoscyamine
      D00147  Hyoscyamine (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00147  Hyoscyamine (USP)
Major components of natural products [BR:br08323]
 Crude drugs
  Belladonna extract; Belladonna
   C02046  L-Hyoscyamine
  Belladonna root
   C02046  L-Hyoscyamine
BRITE hierarchy
Other DBs
CAS: 101-31-5
PubChem: 5135
ChEBI: 17486
ChEMBL: CHEMBL1331216 CHEMBL2449003
KNApSAcK: C00002293
3DMET: B01527
NIKKAJI: J9.268A
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    20.1138  -19.1608
            2   C1x C    20.4419  -17.9891
            3   C1y C    21.2855  -18.8796
            4   C1y C    21.6136  -17.7079
            5   N1y N    20.3482  -16.3956
            6   C1x C    23.1602  -18.8796
            7   C1x C    22.8790  -17.7079
            8   C1y C    24.1913  -19.4420
            9   O7a O    25.2693  -20.3325
            10  C7a C    26.4879  -20.3325
            11  C1c C    27.0972  -19.2545
            12  O6a O    27.0972  -21.4573
            13  C8y C    28.3158  -19.2545
            14  C1b C    26.4879  -18.2234
            15  O1a O    27.0972  -17.1455
            16  C8x C    29.0220  -20.4782
            17  C8x C    30.4220  -20.4785
            18  C8x C    31.1222  -19.2662
            19  C8x C    30.4161  -18.0425
            20  C8x C    29.0161  -18.0422
            21  C1a C    19.5991  -15.2114
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1 #Down
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 1 #Down
            14   14  15 1
            15    4   5 1
            16    7   8 1
            17   13  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   13  20 1
            23    5  21 1

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