| Entry |
|
|---|
| Name |
Epidihydrocholesterin (JAN);
Dihydrin (TN) |
|---|
| Formula |
C27H48O
|
|---|
| Exact mass |
388.3705
|
|---|
| Mol weight |
388.6694
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (mixture): | D04865<JP> |
|
|---|
| Efficacy |
Anti-inflammatory (topical, dental) |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D01527 Epidihydrocholesterin (JAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C1x C 24.1661 -16.4497
2 C1y C 24.1661 -17.8266
3 C1x C 25.3615 -18.5151
4 C1x C 25.3615 -15.7612
5 C1z C 26.5498 -16.4497
6 C1y C 26.5440 -17.8266
7 C1x C 27.7335 -18.5203
8 C1x C 28.9288 -17.8368
9 C1y C 27.7452 -15.7664
10 C1y C 28.9288 -16.4629
11 C1x C 28.8813 -13.7162
12 C1x C 27.6865 -14.3931
13 C1z C 30.0652 -14.4125
14 C1y C 30.1185 -15.7818
15 C1x C 32.4900 -15.7405
16 C1y C 31.3292 -13.7424
17 C1x C 32.5040 -14.4427
18 C1b C 32.5422 -11.7074
19 C1c C 31.3482 -12.3746
20 C1b C 33.7170 -12.4079
21 C1b C 34.9105 -11.7464
22 C1c C 36.0800 -12.4494
23 C1a C 36.0506 -13.8065
24 C1a C 37.2700 -11.7963
25 C1a C 30.1656 -11.6697
26 C1a C 26.5375 -15.0728
27 O1a O 22.9740 -18.5158
28 C1a C 30.0558 -13.0352
BOND 31
1 16 13 1
2 14 15 1
3 6 7 1
4 7 8 1
5 8 10 1
6 9 5 1
7 16 17 1
8 20 18 1
9 18 19 1
10 19 16 1
11 5 4 1
12 4 1 1
13 22 21 1
14 21 20 1
15 1 2 1
16 9 10 1
17 22 23 1
18 24 22 1
19 10 14 1
20 19 25 1 #Down
21 13 11 1
22 11 12 1
23 12 9 1
24 2 3 1
25 3 6 1
26 5 26 1 #Up
27 5 6 1
28 13 14 1
29 2 27 1 #Down
30 15 17 1
31 13 28 1 #Up
|
|---|
