| Entry |
|
|---|
| Name |
Hypericin (USAN) |
|---|
| Formula |
C30H16O8
|
|---|
| Exact mass |
504.0845
|
|---|
| Mol weight |
504.44
|
|---|
| Structure |
|
|---|
| Source |
Hypericum perforatum [TAX: 65561]
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Comment |
containing enantiomers
Topical photodynamic therapy for cutaneous T- cell lymphoma (CTCL) lesions
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8x C 7.8400 -9.8000
2 C8y C 7.8400 -11.2000
3 C8y C 9.0524 -11.9000
4 C8y C 10.2649 -11.2000
5 C8y C 10.2649 -9.8000
6 C8y C 9.0524 -9.1000
7 C8y C 11.4773 -11.9000
8 C8y C 12.6897 -11.2000
9 C8y C 12.6897 -9.8000
10 C5x C 11.4773 -9.1000
11 C8y C 13.9022 -11.9000
12 C8y C 15.1146 -11.2000
13 C8x C 15.1146 -9.8000
14 C8y C 13.9022 -9.1000
15 C8y C 11.4773 -13.3000
16 C8y C 12.6897 -14.0000
17 C8y C 13.9022 -13.3000
18 C8y C 9.0524 -13.3000
19 C8y C 10.2649 -14.0000
20 C8y C 7.8400 -14.0000
21 C8x C 7.8400 -15.4000
22 C8y C 9.0524 -16.1000
23 C8y C 10.2649 -15.4000
24 C5x C 11.4773 -16.1000
25 C8y C 12.6897 -15.4000
26 C8y C 13.9022 -16.1000
27 C8x C 15.1146 -15.4000
28 C8y C 15.1146 -14.0000
29 C1a C 6.6276 -11.9000
30 O1a O 9.0524 -7.7002
31 O5x O 11.4773 -7.7000
32 O1a O 13.9022 -7.7003
33 O1a O 16.3311 -11.9023
34 C1a C 6.6276 -13.3000
35 O1a O 9.0524 -17.4998
36 O5x O 11.4773 -17.5000
37 O1a O 13.9022 -17.4997
38 O1a O 16.3311 -13.2977
BOND 45
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 7 15 2
18 15 16 1
19 16 17 1
20 17 11 1
21 3 18 1
22 18 19 1
23 19 15 1
24 18 20 2
25 20 21 1
26 21 22 2
27 22 23 1
28 19 23 2
29 23 24 1
30 24 25 1
31 16 25 2
32 25 26 1
33 26 27 2
34 27 28 1
35 17 28 2
36 2 29 1
37 6 30 1
38 10 31 2
39 14 32 1
40 12 33 1
41 20 34 1
42 22 35 1
43 24 36 2
44 26 37 1
45 28 38 1
|
|---|
