KEGG   COMPOUND: C06533Help
Entry
C06533                      Compound                               

Name
Papaverine
Formula
C20H21NO4
Exact mass
339.1471
Mol weight
339.385
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06533  Papaverine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AD Papaverine and derivatives
     A03AD01 Papaverine
      D07425  Papaverine (BAN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE02 Papaverine
      D07425  Papaverine (BAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Papaverine
    D07425  Papaverine (BAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   phosphodiesterase (PDE)
    Papaverine
     D07425  Papaverine (BAN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    D07425  Papaverine (BAN)
BRITE hierarchy
Other DBs
CAS: 
58-74-2
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    24.4357  -18.0452
            2   C8y C    24.4417  -16.6398
            3   C8y C    25.6420  -18.7478
            4   C8x C    23.2296  -18.7419
            5   C8x C    23.2296  -15.9430
            6   C8x C    25.6536  -15.9489
            7   C1b C    25.6361  -20.1471
            8   N5x N    26.8598  -18.0509
            9   C8y C    22.0116  -18.0452
            10  C8y C    22.0116  -16.6398
            11  C8x C    26.8656  -16.6516
            12  C8y C    26.8947  -20.8555
            13  O2a O    20.7996  -18.7419
            14  O2a O    20.7996  -15.9430
            15  C8x C    28.0950  -20.1354
            16  C8x C    26.8656  -22.2491
            17  C1a C    19.5875  -18.0452
            18  C1a C    19.5875  -16.6398
            19  C8y C    29.3188  -20.8206
            20  C8x C    28.0893  -22.9343
            21  C8y C    29.3596  -22.2199
            22  O2a O    30.4783  -20.1002
            23  O2a O    30.5134  -22.9049
            24  C1a C    31.6800  -20.7586
            25  C1a C    31.7371  -22.1981
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   12  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    8  11 1
            24    9  10 2
            25   20  21 2
            26   22  24 1
            27   23  25 1

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