KEGG   DRUG: DiosminHelp
Entry
D07858                      Drug                                   

Name
Diosmin (INN);
Daflon (TN)
Formula
C28H32O15
Exact mass
608.1741
Mol weight
608.5447
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C10039
ATC code: C05CA03
Efficacy
Vascular protectant
Comment
Bioflavonoid
Drug acting on the complex of varicose symptoms
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05C CAPILLARY STABILIZING AGENTS
    C05CA Bioflavonoids
     C05CA03 Diosmin
      D07858  Diosmin (INN)
BRITE hierarchy
Other DBs
CAS: 520-27-4
PubChem: 96024554
ChEBI: 4631
ChEMBL: CHEMBL231884
LigandBox: D07858
NIKKAJI: J6.600A
LinkDB All DBs
KCF data Show

ATOM        43
            1   C8y C    27.3700  -19.1800
            2   C8y C    27.3700  -17.8500
            3   C8y C    28.5600  -19.8800
            4   C8y C    26.1800  -19.8800
            5   O2x O    28.6300  -17.1500
            6   C8x C    26.1800  -17.1500
            7   C8x C    29.8200  -19.2500
            8   O5x O    28.5600  -21.2800
            9   C8x C    24.9900  -19.1800
            10  O1a O    26.1800  -21.2800
            11  C8y C    29.8200  -17.8500
            12  C8y C    24.9900  -17.8500
            13  O2a O    23.8000  -17.1500
            14  C1y C    22.4000  -17.8500
            15  O2x O    21.2100  -17.1500
            16  C1y C    22.4000  -19.1800
            17  C1y C    20.0200  -17.8500
            18  C1y C    21.2100  -19.8800
            19  O1a O    23.5900  -19.8800
            20  C1y C    20.0200  -19.1800
            21  C1b C    18.8300  -17.1500
            22  O1a O    21.2100  -21.2800
            23  O1a O    18.8300  -19.8800
            24  C8y C    31.0100  -17.1500
            25  C8x C    31.0100  -15.7500
            26  C8x C    32.2000  -17.8500
            27  C8y C    32.2000  -15.0500
            28  C8x C    33.3900  -17.1500
            29  C8y C    33.3900  -15.7500
            30  O1a O    32.2000  -13.6500
            31  O2a O    34.6500  -15.0500
            32  C1a C    35.8400  -15.7500
            33  O2a O    17.5700  -17.8500
            34  C1y C    13.7200  -18.6900
            35  C1y C    13.7200  -20.0900
            36  C1y C    14.9100  -20.7900
            37  C1y C    16.1000  -20.0900
            38  C1y C    16.1000  -18.6900
            39  O2x O    14.9100  -17.9900
            40  C1a C    12.4600  -17.9900
            41  O1a O    12.4600  -20.7900
            42  O1a O    14.9100  -22.1900
            43  O1a O    17.2900  -20.7900
BOND        47
            1    17  20 1
            2    17  21 1 #Up
            3    18  22 1 #Up
            4    20  23 1 #Down
            5     7  11 2
            6     9  12 1
            7    18  20 1
            8    11  24 1
            9     1   2 2
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 1
            14    3   7 1
            15    3   8 2
            16    4   9 2
            17   24  25 1
            18   24  26 2
            19   25  27 2
            20   26  28 1
            21   27  29 1
            22   27  30 1
            23   29  31 1
            24   31  32 1
            25   28  29 2
            26   21  33 1
            27    4  10 1
            28    5  11 1
            29    6  12 2
            30   12  13 1
            31   14  13 1 #Up
            32   14  15 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   39  34 1
            39   38  33 1 #Up
            40   14  16 1
            41   34  40 1 #Down
            42   15  17 1
            43   35  41 1 #Up
            44   16  18 1
            45   36  42 1 #Down
            46   16  19 1 #Down
            47   37  43 1 #Down

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