KEGG   COMPOUND: C20196Help
Entry
C20196                      Compound                               

Name
Salvinorin A
Formula
C23H28O8
Exact mass
432.1784
Mol weight
432.4636
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Clerodanes
    C20196  Salvinorin A
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    kappa-opioid receptor
     C20196  Salvinorin A
BRITE hierarchy
Other DBs
CAS: 83729-01-5
PubChem: 163311939
ChEMBL: CHEMBL178960 CHEMBL445332
KNApSAcK: C00034669
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1y C    10.7800  -16.5200
            2   C1x C    10.7800  -17.9200
            3   C1y C    11.9924  -18.6200
            4   C1z C    13.2049  -17.9200
            5   C1y C    13.2049  -16.5200
            6   C5x C    11.9924  -15.8200
            7   C1x C    14.4173  -18.6200
            8   C1x C    15.6297  -17.9200
            9   C1y C    15.6297  -16.5200
            10  C1z C    14.4173  -15.8200
            11  C7x C    16.8422  -15.8200
            12  O7x O    16.8422  -14.4200
            13  C1y C    15.6297  -13.7200
            14  C1x C    14.4173  -14.4200
            15  O6a O    18.0753  -16.5322
            16  O7a O     9.5676  -15.8200
            17  C7a C     8.3551  -16.5200
            18  C1a C     7.1427  -15.8200
            19  O6a O     8.3551  -17.9198
            20  O5x O    11.9924  -14.4202
            21  C7a C    11.9924  -20.0198
            22  C1a C    13.2049  -19.3200
            23  C1a C    13.5773  -14.0476
            24  C8y C    15.6297  -12.3201
            25  C8x C    16.7494  -11.5065
            26  C8x C    16.3216  -10.1902
            27  O2x O    14.9375  -10.1903
            28  C8x C    14.5099  -11.5067
            29  O7a O    10.7632  -20.7297
            30  O6a O    13.1880  -20.7102
            31  C1a C     9.5592  -20.0346
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 2
            18    1  16 1 #Down
            19   16  17 1
            20   17  18 1
            21   17  19 2
            22    6  20 2
            23    3  21 1 #Down
            24    4  22 1 #Down
            25   10  23 1 #Down
            26   13  24 1 #Up
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 1
            31   24  28 2
            32   21  29 1
            33   21  30 2
            34   29  31 1

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