KEGG   COMPOUND: C02206Help
Entry
C02206                      Compound                               

Name
alpha-Santonin
Formula
C15H18O3
Exact mass
246.1256
Mol weight
246.3016
Structure
Mol fileKCF fileDB search
Remark
Same as: D00154
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010319 Eudesmane sesquiterpenoids
     C02206  alpha-Santonin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Eudesmanes
    C02206  alpha-Santonin
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  19 Antiparasitics
   D00154  Santonin (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Santonin
    D00154  Santonin (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00154  Santonin
Animal drugs in Japan [BR:br08331]
 97  Agents against pathogenic micro-organisms and parasites (except biological products and disinfectants)
  975  Anthelmintics for digestive organs
   9759  Other anthelmintics for digestive organs
    C02206  alpha-Santonin
Major components of natural products [BR:br08323]
 Crude drugs
  Santonica
   C02206  alpha-Santonin
BRITE hierarchy
Other DBs
CAS: 481-06-1
PubChem: 5274
ChEBI: 16363
ChEMBL: CHEMBL1570028 CHEMBL259254
LIPIDMAPS: LMPR0103190001
KNApSAcK: C00003364
3DMET: B01545
NIKKAJI: J6.172G
KCF data Show

ATOM        18
            1   C1y C    27.0044  -16.6922
            2   C2y C    25.8397  -16.0250
            3   C1y C    28.1687  -16.0250
            4   C1z C    25.8397  -14.6906
            5   C2y C    24.6813  -16.6983
            6   C1x C    28.1568  -14.6784
            7   C1x C    26.9922  -14.0113
            8   C2x C    24.6813  -14.0294
            9   C1a C    25.8216  -13.2298
            10  C5x C    23.5348  -16.0250
            11  C1a C    24.6751  -18.0839
            12  C2x C    23.5348  -14.6906
            13  O5x O    22.3945  -16.6741
            14  O7x O    27.4192  -18.0057
            15  C7x C    28.6133  -18.0103
            16  C1y C    29.1631  -16.8561
            17  O6a O    29.3048  -19.2166
            18  C1a C    30.5534  -16.5522
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    5  11 1
            11    8  12 2
            12   10  13 2
            13    6   7 1
            14   10  12 1
            15    1  14 1
            16   14  15 1
            17   15  16 1
            18    3  16 1
            19   15  17 2
            20   16  18 1 #Down

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