| Entry |
|
|---|
| Name |
Testolactone (USP/INN);
Teslac (TN) |
|---|
| Formula |
C19H24O3
|
|---|
| Exact mass |
300.1725
|
|---|
| Mol weight |
300.3921
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01596 Aromatase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01596 Aromatase inhibitor
D00153 Testolactone
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP19A1 (ARO)
D00153 Testolactone (USP/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 22
1 C1y C 24.3153 -17.9421
2 C1z C 23.0901 -18.6479
3 C1y C 25.5171 -18.6479
4 C1x C 24.3153 -16.5419
5 C2y C 23.0901 -20.0656
6 C2x C 21.8766 -17.9421
7 C1a C 23.0901 -17.3295
8 C1y C 26.7248 -17.9653
9 C1x C 25.5171 -20.0656
10 C1x C 25.5171 -15.8768
11 C1x C 24.3153 -20.7657
12 C2x C 21.8766 -20.7657
13 C2x C 20.6690 -18.6479
14 C1z C 26.7248 -16.5943
15 C1x C 27.9384 -18.6713
16 C5x C 20.6690 -20.0656
17 O7x O 27.9267 -15.8942
18 C1a C 26.7248 -15.1533
19 C1x C 29.1460 -17.9945
20 C7x C 29.1460 -16.5943
21 O6a O 30.3535 -15.8942
22 O5x O 19.4596 -20.7623
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 8 14 1
14 8 15 1
15 12 16 1
16 14 17 1
17 14 18 1 #Up
18 15 19 1
19 17 20 1
20 20 21 2
21 9 11 1
22 10 14 1
23 13 16 1
24 19 20 1
25 16 22 2
|
|---|
