KEGG   DRUG: SilibininHelp
Entry
D08515                      Drug                                   

Name
Silibinin (INN);
Silymarin I;
Legalon (TN)
Formula
C25H22O10
Exact mass
482.1213
Mol weight
482.4362
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Silybum marianum [TAX:92921]
Remark
Same as: C07610
ATC code: A05BA03
Efficacy
Hepatoprotectant
Comment
Flavonolignan
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A05 BILE AND LIVER THERAPY
   A05B LIVER THERAPY, LIPOTROPICS
    A05BA Liver therapy
     A05BA03 Silymarin
      D08515  Silibinin (INN)
BRITE hierarchy
Other DBs
CAS: 22888-70-6
PubChem: 96025200
ChEBI: 9144
ChEMBL: CHEMBL431701
LigandBox: D08515
NIKKAJI: J11.473A
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1y C    29.3300  -20.0900
            2   C8y C    30.5200  -20.7900
            3   C1y C    29.3300  -18.6900
            4   O2x O    28.0700  -20.7900
            5   C8x C    31.7100  -20.0900
            6   C8x C    30.5200  -22.1900
            7   O2x O    28.0700  -17.9900
            8   C1b C    30.5200  -17.9900
            9   C8y C    26.8800  -20.0900
            10  C8y C    32.9000  -20.7900
            11  C8x C    31.7100  -22.8900
            12  C8y C    26.8800  -18.6900
            13  O1a O    31.7100  -18.6900
            14  C8x C    25.6900  -20.7900
            15  C8y C    32.9000  -22.1900
            16  O2a O    34.1600  -20.0900
            17  C8x C    25.6900  -17.9900
            18  C8y C    24.4300  -20.0900
            19  O1a O    34.1600  -22.8900
            20  C1a C    35.3500  -20.8600
            21  C8x C    24.4300  -18.6900
            22  C1y C    23.2400  -20.7900
            23  O2x O    22.0500  -20.0900
            24  C1y C    23.2400  -22.1900
            25  C8y C    20.7900  -20.7900
            26  C5x C    22.0500  -22.8900
            27  O1a O    24.4300  -22.8900
            28  C8y C    20.7900  -22.1900
            29  C8x C    19.6000  -20.0900
            30  O5x O    22.0500  -24.2900
            31  C8y C    19.6000  -22.8900
            32  C8y C    18.4100  -20.7900
            33  C8x C    18.4100  -22.1900
            34  O1a O    19.6000  -24.2900
            35  O1a O    17.1500  -20.0900
BOND        39
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   10  15 2
            15   10  16 1
            16   12  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   22  18 1 #Down
            22   22  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   24  27 1 #Up
            27   25  28 2
            28   25  29 1
            29   26  30 2
            30   28  31 1
            31   29  32 2
            32   31  33 2
            33   31  34 1
            34   32  35 1
            35    9  12 2
            36   11  15 1
            37   18  21 1
            38   26  28 1
            39   32  33 1

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