| Entry |
|
|---|
| Name |
Acenocoumarol (INN);
Acenocoumarin;
Mini-sintrom (TN) |
|---|
| Formula |
C19H15NO6
|
|---|
| Exact mass |
353.0899
|
|---|
| Mol weight |
353.32
|
|---|
| 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
B01AA07 Acenocoumarol
D07064 Acenocoumarol (INN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01759 Dicumarol type coumarin derivative
D07064 Acenocoumarol
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
NAD(P)H dehydrogenase
NQO1
D07064 Acenocoumarol (INN)
Vitamin-K-epoxide reductase
VKORC1
D07064 Acenocoumarol (INN)
|
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| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C8x C 12.6000 -17.9200
2 C8x C 12.6000 -16.5200
3 C8x C 13.7900 -15.8200
4 C8y C 15.0500 -16.5200
5 C8y C 15.0500 -17.9200
6 C8x C 13.7900 -18.6200
7 C8y C 16.2400 -15.8200
8 C8y C 17.4300 -16.5200
9 C8y C 17.4300 -17.9200
10 O7x O 16.2400 -18.6200
11 C1c C 18.6900 -15.8200
12 C8y C 19.8800 -16.5200
13 C8x C 19.8800 -17.9200
14 O6a O 18.6900 -18.6200
15 C8x C 21.0700 -15.8200
16 C8x C 22.2600 -16.5200
17 C8y C 22.2600 -17.9200
18 C8x C 21.0700 -18.6200
19 O1a O 16.2400 -14.4200
20 C1b C 18.6900 -14.4200
21 C5a C 19.8800 -13.7200
22 C1a C 21.0700 -14.4200
23 O5a O 19.8800 -12.3200
24 N2b N 23.5200 -18.6200 #+
25 O3a O 24.7100 -17.9200 #-
26 O3a O 23.5200 -20.0200
BOND 28
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 14 2
16 12 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 13 18 2
21 7 19 1
22 11 20 1
23 20 21 1
24 21 22 1
25 21 23 2
26 17 24 1
27 24 25 1
28 24 26 2
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