| Entry |
|
|---|
| Name |
Kainic acid hydrate (JP18);
Digenin (TN) |
|---|
| Formula |
C10H15NO4. H2O
|
|---|
| Exact mass |
231.1107
|
|---|
| Mol weight |
231.2457
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Source |
Digenea simplex
|
|---|
| Efficacy |
Anthelmintic |
|---|
| Target |
|
|---|
| Pathway |
| ko04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Kainic acid
D02546 Kainic acid hydrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02546 Kainic acid hydrate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 16
1 O0 O 38.0664 -18.8631
2 N1x N 30.8000 -21.7700
3 C1x C 32.2000 -21.7700
4 C1y C 32.6326 -20.4385
5 C1y C 31.5000 -19.6156
6 C1y C 30.3674 -20.4385
7 C1b C 31.5000 -17.2900
8 C6a C 32.7124 -16.5900
9 O6a O 33.9079 -17.2804
10 O6a O 32.7125 -15.1902
11 C1a C 35.0575 -20.4385
12 C2c C 33.8451 -19.7385
13 C6a C 29.1549 -19.7385
14 O6a O 27.9425 -20.4385
15 O6a O 29.1549 -18.3404
16 C2a C 33.8451 -18.3404
BOND 15
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 5 7 1 #Up
7 7 8 1
8 8 9 1
9 8 10 2
10 11 12 1
11 4 12 1 #Up
12 6 13 1 #Down
13 13 14 1
14 13 15 2
15 12 16 2
|
|---|
