| Entry |
|
|---|
| Name |
Ethoheptazine citrate (JAN) |
|---|
| Formula |
C16H23NO2. C6H8O7
|
|---|
| Exact mass |
453.1999
|
|---|
| Mol weight |
453.48
|
|---|
| Structure |
|
|---|
| Efficacy |
Analgesic, Opioid receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D01435 Ethoheptazine citrate (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 22.8708 -17.6701
2 C8x C 24.2714 -17.6701
3 C8x C 24.9717 -16.4571
4 C8x C 24.2714 -15.2442
5 C8x C 22.8708 -15.2442
6 C8x C 22.1705 -16.4571
7 C1z C 22.1705 -18.8831
8 C1x C 19.3450 -17.4844
9 C1x C 20.6091 -16.8963
10 C1x C 21.8678 -17.5178
11 N1y N 19.0177 -18.8495
12 C1x C 19.8816 -19.9549
13 C1x C 21.2839 -19.9649
14 C1a C 17.6490 -19.1470
15 C7a C 23.3800 -19.5738
16 O7a O 24.5896 -18.8735
17 C1b C 25.7992 -19.5666
18 C1a C 27.0088 -18.8663
19 O6a O 23.3840 -20.9744
20 C1d C 34.0335 -17.9056
21 C1b C 32.8217 -18.6022
22 C1b C 35.2453 -18.5962
23 C6a C 34.7243 -16.6878
24 O1a O 33.3250 -16.6878
25 C6a C 31.6156 -17.9114
26 C6a C 35.3036 -19.9955
27 O6a O 34.0158 -15.4702
28 O6a O 36.1293 -16.6878
29 O6a O 30.4039 -18.6139
30 O6a O 31.6739 -16.5123
31 O6a O 36.4454 -20.6980
32 O6a O 34.0158 -20.6921
BOND 32
1 7 15 1
2 1 7 1
3 15 16 1
4 16 17 1
5 1 2 2
6 17 18 1
7 8 9 1
8 15 19 2
9 2 3 1
10 9 10 1
11 3 4 2
12 8 11 1
13 10 7 1
14 4 5 1
15 11 12 1
16 5 6 2
17 7 13 1
18 12 13 1
19 6 1 1
20 11 14 1
21 20 21 1
22 20 22 1
23 20 23 1
24 20 24 1
25 21 25 1
26 22 26 1
27 23 27 1
28 23 28 2
29 25 29 1
30 25 30 2
31 26 31 1
32 26 32 2
|
|---|
