KEGG   DRUG: SantoninHelp
Entry
D00154                      Drug                                   

Name
Santonin (JP17);
Santonin (TN)
Formula
C15H18O3
Exact mass
246.1256
Mol weight
246.3016
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Artemisia manogyna Waldst et kit, Artemisia kurramensis Quazilbash
Remark
Same as: C02206
Efficacy
Anthelmintic
Comment
Sesquiterpene lactones: Eudesmanolide
Brite
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
BRITE hierarchy
Other DBs
CAS: 481-06-1
PubChem: 7847222
ChEBI: 16363
ChEMBL: CHEMBL1570028 CHEMBL259254
LigandBox: D00154
NIKKAJI: J6.172G
LinkDB All DBs
KCF data Show

ATOM        18
            1   C2x C    19.1800  -21.7700
            2   C5x C    19.1800  -23.1700
            3   C2y C    20.3924  -23.8700
            4   C2y C    21.6049  -23.1700
            5   C1z C    21.6049  -21.7700
            6   C2x C    20.3924  -21.0700
            7   C1y C    22.8173  -23.8700
            8   C1y C    24.0297  -23.1700
            9   C1x C    24.0297  -21.7700
            10  C1x C    22.8173  -21.0700
            11  C1a C    21.6049  -20.3700
            12  C1a C    20.3924  -25.2698
            13  O5x O    17.9676  -23.8700
            14  O7x O    23.1084  -25.2394
            15  C7x C    24.5007  -25.3858
            16  C1y C    25.0702  -24.1068
            17  O6a O    25.2112  -26.6159
            18  C1a C    26.4350  -23.8166
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    5  11 1 #Up
            13    3  12 1
            14    2  13 2
            15    7  14 1 #Down
            16   14  15 1
            17   15  16 1
            18    8  16 1
            19   15  17 2
            20   16  18 1 #Down

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