KEGG   DRUG: BergapteneHelp
Entry
D07521                      Drug                                   

Name
Bergaptene (DCF);
Bergapten;
Pentaderm (TN)
Formula
C12H8O4
Exact mass
216.0423
Mol weight
216.1895
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C01557
ATC code: D05BA03
Efficacy
Pigmentation agent
Comment
Psoralen derivative
Melanization
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05B ANTIPSORIATICS FOR SYSTEMIC USE
    D05BA Psoralens for systemic use
     D05BA03 Bergapten
      D07521  Bergaptene (DCF)
BRITE hierarchy
Other DBs
CAS: 484-20-8
PubChem: 51091844
ChEBI: 18293
ChEMBL: CHEMBL24171
LigandBox: D07521
NIKKAJI: J12.563F
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    13.0200  -25.6200
            2   C8x C    13.0200  -27.0200
            3   C8x C    14.2324  -27.7200
            4   C8y C    15.4449  -27.0200
            5   C8y C    15.4449  -25.6200
            6   O7x O    14.2324  -24.9200
            7   C8y C    16.6573  -27.7200
            8   C8y C    17.8697  -27.0200
            9   C8y C    17.8697  -25.6200
            10  C8x C    16.6573  -24.9200
            11  C8x C    19.2012  -27.4526
            12  C8x C    20.0241  -26.3200
            13  O2x O    19.2012  -25.1874
            14  O2a O    16.6573  -29.1200
            15  C1a C    15.4469  -29.8188
            16  O6a O    11.8076  -24.9200
BOND        18
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16    7  14 1
            17   14  15 1
            18    1  16 2

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