Metabolite Dihydrotestosterone
- Name
- Dihydrotestosterone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 290.4403
Monoisotopic: 290.224580204 - Chemical Formula
- C19H30O2
- InChI Key
- NVKAWKQGWWIWPM-ABEVXSGRSA-N
- InChI
- InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
- IUPAC Name
- (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
- SMILES
- [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
- Reactions
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 5-alpha androstanedione
- 5-alpha androstanedione 5-alpha androsterone
- Dihydrotestosterone 5-alpha-Dihydrotestosterone glucuronide
- Dihydrotestosterone 5a-Dihydrotestosterone sulfate
- Dihydrotestosterone 5-alpha androstanediol
- Dihydrotestosterone 5alpha-androstane-3alpha,17beta-diol
- Dihydrotestosterone 5alpha-androstane-3beta,17beta-diol
- Dihydrotestosterone 5-alpha androstanedione
- Testosterone cypionate Testosterone
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 3-alpha-Androstanediol glucuronide
- Testosterone Dihydrotestosterone
- Testosterone enanthate Testosterone
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 3-alpha-Androstanediol glucuronide
- Testosterone Dihydrotestosterone
- Testosterone propionate Testosterone
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 3-alpha-Androstanediol glucuronide
- Testosterone Dihydrotestosterone
- Testosterone undecanoate Testosterone and Undecanoate
- Testosterone Dihydrotestosterone
- Dihydrotestosterone 3-alpha-androstanediol and 3-beta-androstenediol
- Undecanoate Acetyl Coenzyme A
- Acetyl Coenzyme A Propionyl Coenzyme A
- Testosterone Dihydrotestosterone
- Testosterone Androstenedione
- Androstenedione Estrone
- Estrone Estradiol
- Androstenedione 5-alpha androstanedione
- 5-alpha androstanedione 5-alpha androsterone
- 5-alpha androstanedione Dihydrotestosterone
- Dihydrotestosterone 5-alpha-Dihydrotestosterone glucuronide
- Dihydrotestosterone 5a-Dihydrotestosterone sulfate
- Dihydrotestosterone 5-alpha androstanediol
- Dihydrotestosterone 5alpha-androstane-3alpha,17beta-diol
- Dihydrotestosterone 5alpha-androstane-3beta,17beta-diol
- Androstenedione Estrone
- Testosterone Dihydrotestosterone
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 177.2360681 predictedDarkChem Lite v0.1.0 [M-H]- 177.0600681 predictedDarkChem Lite v0.1.0 [M-H]- 176.7554681 predictedDarkChem Lite v0.1.0 [M-H]- 176.4532 predictedDeepCCS 1.0 (2019) [M-H]- 177.2360681 predictedDarkChem Lite v0.1.0 [M-H]- 177.0600681 predictedDarkChem Lite v0.1.0 [M-H]- 176.7554681 predictedDarkChem Lite v0.1.0 [M-H]- 176.4532 predictedDeepCCS 1.0 (2019) [M+H]+ 177.6143681 predictedDarkChem Lite v0.1.0 [M+H]+ 177.2701681 predictedDarkChem Lite v0.1.0 [M+H]+ 177.5086681 predictedDarkChem Lite v0.1.0 [M+H]+ 178.34862 predictedDeepCCS 1.0 (2019) [M+H]+ 177.6143681 predictedDarkChem Lite v0.1.0 [M+H]+ 177.2701681 predictedDarkChem Lite v0.1.0 [M+H]+ 177.5086681 predictedDarkChem Lite v0.1.0 [M+H]+ 178.34862 predictedDeepCCS 1.0 (2019) [M+Na]+ 177.5800681 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.1565681 predictedDarkChem Lite v0.1.0 [M+Na]+ 184.35066 predictedDeepCCS 1.0 (2019) [M+Na]+ 177.5800681 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.1565681 predictedDarkChem Lite v0.1.0 [M+Na]+ 184.35066 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0002961
- KEGG Compound
- C03917
- ChemSpider
- 10189
- BindingDB
- 50366473
- ChEBI
- 16330
- ChEMBL
- CHEMBL27769
- ZINC
- ZINC000003814360
- PDBe Ligand
- DHT
- Wikipedia
- Dihydrotestosterone
- Predicted Properties
Property Value Source Water Solubility 0.00998 mg/mL ALOGPS logP 3.37 ALOGPS logP 3.41 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 19.38 Chemaxon pKa (Strongest Basic) -0.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 83.6 m3·mol-1 Chemaxon Polarizability 34.54 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon