| Entry |
|
|---|
| Name |
Orpanoxin (USAN/INN) |
|---|
| Formula |
C13H11ClO4
|
|---|
| Exact mass |
266.0346
|
|---|
| Mol weight |
266.677
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, COX inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D05275 Orpanoxin (USAN/INN)
PTGS2 (COX2)
D05275 Orpanoxin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C8x C 27.9131 -16.4796
2 C8y C 27.9131 -17.8820
3 C8x C 29.1275 -18.5831
4 C8x C 30.3420 -17.8820
5 C8y C 30.3420 -16.4796
6 C8x C 29.1275 -15.7784
7 X Cl 26.6987 -18.5831
8 C8y C 31.5753 -15.7674
9 O2x O 32.7158 -16.5723
10 C8y C 33.8305 -15.7383
11 C8x C 33.3821 -14.4205
12 C8x C 31.9901 -14.4398
13 C1c C 35.0455 -16.4398
14 C1b C 36.2605 -15.7383
15 O1a O 35.0459 -17.8184
16 O6a O 37.4181 -17.8336
17 C6a C 37.4776 -16.4410
18 O6a O 38.6653 -15.7550
BOND 19
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 10 13 1
15 13 14 1
16 13 15 1
17 14 17 1
18 17 18 1
19 17 16 2
|
|---|
