KEGG   DRUG: TroxerutinHelp
Entry
D07180                      Drug                                   

Name
Troxerutin (INN)
Formula
C33H42O19
Exact mass
742.232
Mol weight
742.6752
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Sophora japonica [TAX:3897]
Remark
ATC code: C05CA04
Efficacy
Vascular protectant
Comment
Bioflavonoid
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05C CAPILLARY STABILIZING AGENTS
    C05CA Bioflavonoids
     C05CA04 Troxerutin
      D07180  Troxerutin (INN)
BRITE hierarchy
Other DBs
CAS: 7085-55-4
PubChem: 51091518
ChEMBL: CHEMBL3182320
LigandBox: D07180
NIKKAJI: J9.645H
LinkDB All DBs
KCF data Show

ATOM        52
            1   C8y C    19.0400   -9.5200
            2   C8x C    19.0400  -10.9200
            3   C8y C    20.2300  -11.6200
            4   C8x C    20.2300   -8.8200
            5   C8y C    21.4200   -9.5200
            6   C8y C    21.4200  -10.9200
            7   C8y C    22.6100  -11.6200
            8   C8y C    23.8700  -10.9200
            9   C8y C    23.8700   -9.5200
            10  O2x O    22.6800   -8.8200
            11  C8y C    25.0600   -8.8200
            12  C8x C    26.2500   -9.5200
            13  C8y C    27.4400   -8.8900
            14  C8y C    27.4400   -7.4900
            15  C8x C    26.2500   -6.7900
            16  C8x C    25.0600   -7.4900
            17  O1a O    20.2300  -13.0200
            18  O2a O    17.8500   -8.8200
            19  O5x O    22.6100  -13.0200
            20  O2a O    28.6300   -6.7900
            21  O2a O    28.6300   -9.5200
            22  O2a O    25.2000  -11.6200
            23  C1y C    26.6700  -12.9500
            24  O2x O    26.6700  -14.2800
            25  C1y C    27.8600  -14.9800
            26  C1y C    29.0500  -14.2800
            27  C1y C    29.0500  -12.9500
            28  C1y C    27.8600  -12.2500
            29  O1a O    27.8600  -10.8500
            30  O1a O    30.2400  -12.2500
            31  O1a O    30.2400  -14.9800
            32  C1b C    27.8600  -16.3800
            33  O2a O    26.6000  -17.0800
            34  C1y C    25.4100  -16.3800
            35  O2x O    25.4100  -14.9800
            36  C1y C    24.2200  -14.2800
            37  C1y C    23.0300  -14.9800
            38  C1y C    23.0300  -16.3800
            39  C1y C    24.2200  -17.0800
            40  C1a C    24.2200  -12.8800
            41  O1a O    21.8400  -14.2800
            42  O1a O    21.8400  -17.0800
            43  O1a O    24.2200  -18.4800
            44  C1b C    16.6319   -9.5101
            45  C1b C    15.4505   -8.8150
            46  O1a O    14.2451   -9.4980
            47  C1b C    29.8159   -8.7760
            48  C1b C    31.0455   -9.4268
            49  O1a O    32.2450   -8.6736
            50  C1b C    29.8481   -7.4801
            51  C1b C    31.0295   -6.7850
            52  O1a O    32.2349   -7.4680
BOND        56
            1     9  10 1
            2    13  21 1
            3    10   5 1
            4     8  22 1
            5    23  22 1 #Up
            6     9  11 1
            7     1   2 2
            8     2   3 1
            9     3   6 2
            10    5   4 2
            11   23  24 1
            12   24  25 1
            13   25  26 1
            14   26  27 1
            15   27  28 1
            16   28  23 1
            17    4   1 1
            18   28  29 1 #Down
            19   11  12 2
            20   27  30 1 #Up
            21   12  13 1
            22   26  31 1 #Down
            23   13  14 2
            24   25  32 1 #Up
            25   14  15 1
            26   32  33 1
            27   15  16 2
            28   34  33 1 #Up
            29   16  11 1
            30    5   6 1
            31    3  17 1
            32    6   7 1
            33    1  18 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  34 1
            40    7   8 1
            41   36  40 1 #Down
            42    7  19 2
            43   37  41 1 #Up
            44    8   9 2
            45   38  42 1 #Down
            46   14  20 1
            47   39  43 1 #Down
            48   18  44 1
            49   44  45 1
            50   45  46 1
            51   21  47 1
            52   47  48 1
            53   48  49 1
            54   20  50 1
            55   50  51 1
            56   51  52 1

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