Common name
(E)-hex-3-ene
IUPAC name
(E)-hex-3-ene
SMILES
C(C)C=CCC
Common name
(E)-hex-3-ene
IUPAC name
(E)-hex-3-ene
SMILES
C(C)C=CCC
INCHI
InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
FORMULA
C6H12
Common name
(E)-hex-3-ene
IUPAC name
(E)-hex-3-ene
Molecular weight
84.159
clogP
1.600
clogS
-1.443
Frequency
0.0024
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00044 | Ergocalciferol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Vitamin D and Analogues; CYP3A4 Inhibitors; | For use in the management of hypocalcemia and its clinical manifestations in patients with hypoparathyroidism, as well as for the treatment of familial hypophosphatemia (vitamin D resistant rickets). This drug has also been used in the treatment of nutritional rickets or osteomalacia, vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis). |
| FDBD00143 | Diethylstilbestrol |
|
Carcinogens; Estrogens, Non-Steroidal; Estrogens; Antineoplastic and Immunomodulating Agents; Hormones and Related Agents; Endocrine Therapy; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Synthetic Estrogens, Plain; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Used in the treatment of prostate cancer. Previously used in the prevention of miscarriage or premature delivery in pregnant women prone to miscarriage or premature delivery. |
| FDBD00921 | Dihydrotachysterol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Vitamin D and Analogues; | Used for the prevention and treatment of rickets or osteomalacia, and to manage hypocalcemia associated with hypoparathyroidism or pseudohypoparathyroidism. Also used for the treatment of vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis). |
| FDBD01305 | Oleic Acid |
|
; | |
| FDBD01412 | Doxercalciferol |
|
Bone Density Conservation Agents; Vitamins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; | Doxercalciferol is indicated for the treatment of secondary hyperparathyroidism in patients with chronic kidney disease on dialysis, as well as for the treatment of secondary hyperparathyroidism in patients with Stage 3 or Stage 4 chronic kidney disease. |
| FDBD01431 | Ethanolamine Oleate |
|
Sclerosing Solutions; Cardiovascular System; Vasoprotectives; Sclerosing Agents for Local Injection; Antivaricose Therapy; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of patients with esophageal varices that have recently bled, to prevent rebleeding. |
| FDBD01992 | juvenile hormone I |
|
Insecticide | Insecticide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_5_825.mol2 | 5d1w | 1 | -6.64 | C(C)/C=C/CC | 6 |
| 5d1w_ligand_5_1161.mol2 | 5d1w | 1 | -6.57 | C(=C\CC)/CC | 6 |
| 1gni_ligand_4_875.mol2 | 1gni | 1 | -6.56 | CC/C=C\CC | 6 |
| 4wn5_ligand_4_2115.mol2 | 4wn5 | 1 | -6.55 | C(/C=C\CC)C | 6 |
| 5d1r_ligand_5_246.mol2 | 5d1r | 1 | -6.54 | C(=C\CC)/CC | 6 |
| 5d1w_ligand_5_1266.mol2 | 5d1w | 1 | -6.47 | CC/C=C/CC | 6 |
| 4tkh_ligand_3_119.mol2 | 4tkh | 1 | -6.42 | C(=C\CC)/CC | 6 |
| 4tkj_ligand_4_490.mol2 | 4tkj | 1 | -6.40 | CC/C=C/CC | 6 |
184 ,
19
