| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C18H18O3
|
|---|
| Exact mass |
282.1256
|
|---|
| Mol weight |
282.3337
|
|---|
| Structure |
   |
|---|
| Class |
Other
DG01584 Estrogen receptor agonist
DG01630 beta-Estrogen receptor agonist
|
|---|
| Efficacy |
Antipsychotic, Estrogen receptor beta agonist |
|---|
| Comment |
Treatment of schizophrenia
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A2 (ESR2)
D09899 Erteberel (USAN/INN)
 |
|---|
| Other DBs |
|
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 21
1 C8x C 17.9200 -31.1500
2 C8y C 17.9200 -32.5500
3 C8x C 19.1100 -33.2500
4 C8y C 20.3700 -32.5500
5 C8y C 20.3700 -31.1500
6 C8x C 19.1100 -30.4500
7 C1y C 21.5600 -33.2500
8 C1y C 22.7500 -32.5500
9 C1y C 22.7500 -31.1500
10 O2x O 21.5600 -30.4500
11 C8y C 23.9400 -30.4500
12 C8x C 25.1300 -31.1500
13 C8x C 26.3900 -30.4500
14 C8y C 26.3900 -29.0500
15 C8x C 25.2000 -28.3500
16 C8x C 23.9400 -29.0500
17 C1x C 21.8580 -34.5981
18 C1x C 23.2322 -34.7312
19 C1x C 23.7835 -33.4655
20 O1a O 16.7047 -33.2451
21 O1a O 27.6053 -28.3549
BOND 24
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 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Up
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 11 16 2
19 7 17 1
20 17 18 1
21 18 19 1
22 8 19 1
23 2 20 1
24 14 21 1
|
|---|
