KEGG   COMPOUND: C06972Help
Entry
C06972                      Compound                               

Name
Dronabinol;
delta9-Tetrahydrocannabinol;
Tetrahydrocannabinol;
THC
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Others
   Cannabinoids
    C06972  Tetrahydrocannabinol
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: other receptors
   Cannabinoid
    cannabinoid receptor 1
     C06972  Dronabinol
    cannabinoid receptor 2
     C06972  Dronabinol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A04 ANTIEMETICS AND ANTINAUSEANTS
   A04A ANTIEMETICS AND ANTINAUSEANTS
    A04AD Other antiemetics
     A04AD10 Dronabinol
      D00306  Dronabinol (USP/INN)
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Dronabinol
    D00306  Dronabinol (USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    cannabinoid receptor 1
     Dronabinol
      D00306  Dronabinol (USP/INN)
    cannabinoid receptor 2
     Dronabinol
      D00306  Dronabinol (USP/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2C9
   Dronabinol
    D00306  Dronabinol (USP/INN)
  CYP3A4
   Dronabinol
    D00306  Dronabinol (USP/INN)
Gastrointestinal agents [br08371.html]
 Antiemetic
  D00306
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D00306
BRITE hierarchy
Other DBs
CAS: 
1972-08-3
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1y C    18.4115  -16.8533
            2   C8y C    19.5887  -17.5353
            3   C1y C    17.2226  -17.5353
            4   C2x C    18.4172  -15.4895
            5   C8y C    19.5887  -18.9108
            6   C8y C    20.7777  -16.8533
            7   C1z C    17.2226  -18.9108
            8   C1x C    16.0393  -16.8476
            9   C2y C    17.2284  -14.8018
            10  O2x O    18.4115  -19.5926
            11  C8x C    20.7777  -19.5926
            12  C8x C    21.9551  -17.5353
            13  O1a O    20.7777  -15.4838
            14  C1a C    17.2400  -20.5833
            15  C1a C    15.6548  -19.6218
            16  C1x C    16.0393  -15.4838
            17  C1a C    17.2341  -13.4381
            18  C8y C    21.9551  -18.9108
            19  C1b C    23.1382  -19.5926
            20  C1b C    24.3271  -18.9048
            21  C1b C    25.5043  -19.5868
            22  C1b C    26.6933  -18.9048
            23  C1a C    27.8705  -19.5868
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16    9  17 1
            17   11  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    7  10 1
            24    9  16 1
            25   12  18 1

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