Entry
Name
Bergaptene (DCF); Bergapten; Pentaderm (TN)
Formula
C12H8O4
Exact mass
216.0423
Mol weight
216.19
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
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
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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