| Entry |
|
|---|
| Name |
Dicumarol (USAN);
Dicoumarol (INN);
Dicumarol (TN) |
|---|
| Formula |
C19H12O6
|
|---|
| Exact mass |
336.0634
|
|---|
| Mol weight |
336.295
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01759 Dicumarol type coumarin derivative
|
|---|
| Remark |
|
|---|
| Efficacy |
Anticoagulant, Vitamin K antagonist |
|---|
| Comment |
Coumarin derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AA Vitamin K antagonists
B01AA01 Dicoumarol
D03798 Dicumarol (USAN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01759 Dicumarol type coumarin derivative
D03798 Dicumarol
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Vitamin-K-epoxide reductase
VKORC1
D03798 Dicumarol (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 25
1 C8y C 14.4208 -16.1578
2 C8y C 14.4208 -17.5050
3 C8y C 15.5902 -15.4719
4 C8x C 13.2573 -15.4904
5 O7x O 15.5963 -18.1785
6 C8x C 13.2573 -18.1845
7 C8y C 16.7659 -16.1456
8 O1a O 15.5841 -14.1371
9 C8x C 12.1001 -16.1578
10 C8y C 16.7780 -17.5110
11 C8x C 12.1001 -17.5050
12 C1b C 18.3694 -15.4597
13 O6a O 17.9600 -18.1845
14 C8y C 20.3258 -16.1517
15 C8y C 21.5015 -15.4537
16 C8y C 20.3319 -17.5110
17 C8y C 22.6954 -16.1272
18 O1a O 21.4830 -14.1189
19 O7x O 21.5260 -18.1908
20 O6a O 19.1622 -18.2031
21 C8y C 22.7138 -17.5050
22 C8x C 23.8772 -15.4109
23 C8x C 23.9200 -18.1785
24 C8x C 25.0834 -16.0844
25 C8x C 25.0442 -17.4743
BOND 28
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 10 13 2
13 12 14 1
14 14 15 2
15 14 16 1
16 15 17 1
17 15 18 1
18 16 19 1
19 16 20 2
20 17 21 2
21 17 22 1
22 21 23 1
23 22 24 2
24 23 25 2
25 7 10 1
26 9 11 1
27 19 21 1
28 24 25 1
|
|---|
