| Entry |
|
|---|
| Name |
Silibinin (INN);
Silymarin I;
Legalon (TN) |
|---|
| Formula |
C25H22O10
|
|---|
| Exact mass |
482.1213
|
|---|
| Mol weight |
482.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Source |
Silybum marianum [TAX: 92921]
|
|---|
| Remark |
|
|---|
| Efficacy |
Hepatoprotectant |
|---|
| Comment |
Flavonolignan
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A05 BILE AND LIVER THERAPY
A05B LIVER THERAPY, LIPOTROPICS
A05BA Liver therapy
A05BA03 Silymarin
D08515 Silibinin (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C1y C 29.3300 -20.0900
2 C8y C 30.5200 -20.7900
3 C1y C 29.3300 -18.6900
4 O2x O 28.0700 -20.7900
5 C8x C 31.7100 -20.0900
6 C8x C 30.5200 -22.1900
7 O2x O 28.0700 -17.9900
8 C1b C 30.5200 -17.9900
9 C8y C 26.8800 -20.0900
10 C8y C 32.9000 -20.7900
11 C8x C 31.7100 -22.8900
12 C8y C 26.8800 -18.6900
13 O1a O 31.7100 -18.6900
14 C8x C 25.6900 -20.7900
15 C8y C 32.9000 -22.1900
16 O2a O 34.1600 -20.0900
17 C8x C 25.6900 -17.9900
18 C8y C 24.4300 -20.0900
19 O1a O 34.1600 -22.8900
20 C1a C 35.3500 -20.8600
21 C8x C 24.4300 -18.6900
22 C1y C 23.2400 -20.7900
23 O2x O 22.0500 -20.0900
24 C1y C 23.2400 -22.1900
25 C8y C 20.7900 -20.7900
26 C5x C 22.0500 -22.8900
27 O1a O 24.4300 -22.8900
28 C8y C 20.7900 -22.1900
29 C8x C 19.6000 -20.0900
30 O5x O 22.0500 -24.2900
31 C8y C 19.6000 -22.8900
32 C8y C 18.4100 -20.7900
33 C8x C 18.4100 -22.1900
34 O1a O 19.6000 -24.2900
35 O1a O 17.1500 -20.0900
BOND 39
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 2
15 10 16 1
16 12 17 1
17 14 18 2
18 15 19 1
19 16 20 1
20 17 21 2
21 22 18 1 #Down
22 22 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 24 27 1 #Up
27 25 28 2
28 25 29 1
29 26 30 2
30 28 31 1
31 29 32 2
32 31 33 2
33 31 34 1
34 32 35 1
35 9 12 2
36 11 15 1
37 18 21 1
38 26 28 1
39 32 33 1
|
|---|
