Common name
(E,4S)-4-methylhept-2-ene
IUPAC name
(E,4S)-4-methylhept-2-ene
SMILES
C(C)(C=CC)CCC
Common name
(E,4S)-4-methylhept-2-ene
IUPAC name
(E,4S)-4-methylhept-2-ene
SMILES
C(C)(C=CC)CCC
INCHI
InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h4,6,8H,5,7H2,1-3H3/b6-4+/t8-/m1/s1
FORMULA
C8H16
Common name
(E,4S)-4-methylhept-2-ene
IUPAC name
(E,4S)-4-methylhept-2-ene
Molecular weight
112.213
clogP
2.316
clogS
-1.929
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00053 | Vitamin E |
|
Antioxidants; Vitamins; Dietary Supplements; Micronutrients; Supplements; | Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_5_1266.mol2 | 4u82 | 1 | -7.43 | C(=C(C)C)CCC(C)C | 9 |
| 4u82_ligand_4_700.mol2 | 4u82 | 1 | -7.14 | C(=C(C)C)CCCC | 8 |
| 2q80_ligand_3_0.mol2 | 2q80 | 1 | -7.13 | C(C(C)C)CC=C(C)C | 9 |
| 4u82_ligand_5_1035.mol2 | 4u82 | 1 | -7.09 | CC(=CCCC(C)C)C | 9 |
| 3dst_ligand_3_0.mol2 | 3dst | 1 | -7.08 | C(=CCCC(C)C)(C)C | 9 |
| 3dsu_ligand_3_155.mol2 | 3dsu | 1 | -7.08 | C(=C(C)C)CCC(C)C | 9 |
| 4ea1_ligand_3_7.mol2 | 4ea1 | 1 | -7.05 | C(C(C)C)CC=C(C)C | 9 |
| 1d8e_ligand_3_0.mol2 | 1d8e | 1 | -6.99 | C(C(C)C)CC=C(C)C | 9 |
106 ,
11
