Entry |
|
Name |
Flocoumafen (JAN) |
Formula |
C33H25F3O4
|
Exact mass |
542.1705
|
Mol weight |
542.54
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Anticoagulant, Rodenticide |
Comment |
Coumarin derivative
|
Target |
|
Pathway |
hsa00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Vitamin-K-epoxide reductase
VKORC1
D07134 Flocoumafen (JAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 40
1 C8y C 20.5100 -16.8700
2 C8y C 20.5100 -18.2700
3 C8x C 19.3200 -18.9700
4 C8x C 18.0600 -18.2700
5 C8x C 18.0600 -16.8700
6 C8x C 19.3200 -16.1700
7 O7x O 21.7000 -16.1700
8 C8y C 22.9600 -16.8700
9 C8y C 22.9600 -18.2700
10 C8y C 21.7000 -18.9700
11 O6a O 24.1500 -16.1700
12 O1a O 21.7000 -20.3700
13 C1y C 24.1500 -18.9700
14 C1x C 25.3400 -18.2700
15 C1y C 26.6000 -18.9700
16 C1x C 26.6000 -20.3700
17 C8y C 25.4100 -21.0700
18 C8y C 24.1500 -20.3700
19 C8x C 25.4100 -22.4700
20 C8x C 24.1500 -23.1700
21 C8x C 22.9600 -22.4700
22 C8x C 22.9600 -21.0700
23 C8y C 27.7900 -18.2700
24 C8x C 27.7900 -16.8700
25 C8x C 29.0500 -16.1700
26 C8y C 30.2400 -16.8700
27 C8x C 30.2400 -18.2700
28 C8x C 29.0500 -18.9700
29 O2a O 31.4300 -16.1700
30 C1b C 32.6200 -16.8700
31 C8y C 33.8100 -16.1700
32 C8x C 33.8100 -14.7700
33 C8x C 35.0700 -14.0700
34 C8y C 36.2600 -14.7700
35 C8x C 36.2600 -16.1700
36 C8x C 35.0700 -16.8700
37 C1d C 37.4500 -14.0700
38 X F 38.1500 -15.2600
39 X F 38.6400 -13.3700
40 X F 36.7500 -12.8800
BOND 45
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 2 10 1
12 8 11 2
13 10 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 17 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 18 22 2
26 15 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 23 28 1
33 26 29 1
34 29 30 1
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 34 35 1
40 35 36 2
41 31 36 1
42 34 37 1
43 37 38 1
44 37 39 1
45 37 40 1
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