KEGG   DRUG: ProscillaridinHelp
Entry
D01379                      Drug                                   

Name
Proscillaridin (JAN/USAN/INN);
Talusin (TN)
Formula
C30H42O8
Exact mass
530.288
Mol weight
530.6497
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01741  Scilla glycoside
Remark
Same as: 
ATC code: 
Activity
Cardiotonic
Comment
Scilla glycoside
Target
  Pathway
Cardiac muscle contraction
Interaction
Drug interaction
Structure map
Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AB Scilla glycosides
     C01AB01 Proscillaridin
      D01379  Proscillaridin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Proscillaridin
     D01379  Proscillaridin (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
466-06-8
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   C1x C    17.4129  -18.5857
            2   C1y C    17.4129  -19.9683
            3   C2x C    18.6132  -20.6595
            4   C1x C    18.6132  -17.8943
            5   C1z C    19.8064  -18.5857
            6   C2y C    19.8005  -19.9683
            7   C1x C    20.9950  -20.6647
            8   C1x C    22.1953  -19.9785
            9   C1y C    21.0067  -17.8995
            10  C1y C    22.1953  -18.5989
            11  C1x C    22.2179  -15.8408
            12  C1x C    21.0182  -16.5205
            13  C1z C    23.4067  -16.5400
            14  C1x C    25.7878  -16.5689
            15  C1y C    24.6056  -15.8671
            16  C1x C    25.7713  -17.8736
            17  C1z C    23.4024  -17.8572
            18  C8y C    24.6222  -14.4845
            19  C1a C    23.3973  -15.1570
            20  C1a C    19.7941  -17.2029
            21  O2a O    16.2159  -20.6601
            22  C8x C    25.8249  -13.8133
            23  C8x C    25.8416  -12.3606
            24  C8y C    24.6527  -11.7249
            25  O7x O    23.4470  -12.4017
            26  C8x C    23.4304  -13.7842
            27  O6a O    24.6695  -10.3424
            28  O1a O    23.3904  -19.3048
            29  C1y C    15.0182  -19.9696
            30  O2x O    15.0179  -18.5883
            31  C1y C    13.8200  -17.8976
            32  C1y C    12.6230  -18.5895
            33  C1y C    12.6238  -19.9721
            34  C1y C    13.8214  -20.6628
            35  C1a C    13.8194  -16.5150
            36  O1a O    13.8230  -22.0456
            37  O1a O    11.4267  -20.6640
            38  O1a O    11.4253  -17.8988
BOND        43
            1     9   5 1
            2    13  19 1 #Up
            3     5   4 1
            4     5  20 1 #Up
            5     4   1 1
            6     2  21 1 #Up
            7     1   2 1
            8     9  10 1
            9    10  17 1
            10   13  11 1
            11   18  22 1
            12   22  23 2
            13   23  24 1
            14   24  25 1
            15   25  26 1
            16   26  18 2
            17   11  12 1
            18   24  27 2
            19   12   9 1
            20   17  28 1 #Up
            21    2   3 1
            22   29  21 1 #Up
            23    3   6 2
            24    5   6 1
            25   13  17 1
            26   16  14 1
            27   14  15 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  29 1
            34   15  13 1
            35   31  35 1 #Down
            36    6   7 1
            37   34  36 1 #Down
            38    7   8 1
            39   33  37 1 #Down
            40   16  17 1
            41   32  38 1 #Up
            42    8  10 1
            43   15  18 1 #Up

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