17-Hydroxyandrost-4-en-3-one
PubChem CID: 5408
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| Compound Synonyms | 17-Hydroxyandrost-4-en-3-one, 1221910-14-0, Testosterone-d3, Oreton F, Virormone, (9beta,10alpha)-17beta-Hydroxyandrost-4-en-3-one, Androst-4-en-17.beta.-ol-3-one, 17.beta.-Hydroxy-4-androsten-3-one, 17.beta.-Hydroxyandrost-4-en-3-one, .DELTA.4-Androsten-17.beta.-ol-3-one, Androst-4-en-3-one, 17.beta.-hydroxy-, 17-Hydroxy-(17.beta.)-androst-4-en-3-one, 4-ANDROSTEN-17A-OL-3-ONE-2,2,4,6,6-D5, CHEMBL386630, 9.beta.,10.alpha.-Testosterone, CPD000109709, Androst-4-en-3-one, 17-hydroxy-, (17.beta.)-, Cambridge id 7215855, Oprea1_852285, MLS000113817, SCHEMBL616350, CHEMBL268313, CHEBI:94444, NSC9700, MUMGGOZAMZWBJJ-UHFFFAOYSA-N, Testosterone- 16,16,17-D3, HMS2268M04, HMS3259H09, 17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one, QGA19535, WAA00280, BBL028526, BDBM50025452, NSC523833, STK013235, 9-BETA-10-ALPHA-TESTOSTERONE, AKOS000490915, AKOS016037980, NC00634, NSC-523833, 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, SMR000109709, VS-08816, .delta.(4)-Androsten-17.beta.-ol-3-one, EU-0070267, VU0122138-8, WLN: L E5 B666 OV MUTJ A1 E1 FQ, .delta.(sup4)-Androsten-17(.beta.)-ol-3-one, 4-Androsten-17?-ol-3-one-2,2,4,6,6-d5, AB00437985-08, 17.beta.-Hydroxy-.delta.(sup4)-androsten-3-one, Q27166309, F0452-4293, 14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one, (testosterone)17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one, 1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, 17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (Testosterone), 17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one(testosterone) |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Pathway Kegg Map Id | map00150 |
| Description | Testosterone is a steroid hormone from the androgen group and is found in mammals, reptiles, birds, and other vertebrates. In mammals, testosterone is primarily secreted in the testicles of males and the ovaries of females, although small amounts are also secreted by the adrenal glands. It is the principal male sex hormone and an anabolic steroid. [Wikipedia]. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P49888, Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P51857, P31213, P18405, Q16772, P37058, P04278, P10275, P16860, Q6UWM9, A0N0X8, Q9H8P0, Q6NWU0 |
| Uniprot Id | Q99714, P04062, P83916, Q9UNA4, P63092, Q9NUW8, n.a., Q03431 |
| Iupac Name | 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Prediction Hob | 0.0 |
| Class | Steroids and steroid derivatives |
| Target Id | NPT149 |
| Xlogp | 3.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Androstane steroids |
| Molecular Formula | C19H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUMGGOZAMZWBJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -4.516 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 3.47 |
| Synonyms | (+-)-8-Iso-testosterone, (+-)-Retrotestosterone, (+-)-Testosterone, (+)-Testosterone, (17b)-17-hydroxy-androst-4-en-3-one, (17beta)-17-Hydroxyandrost-4-en-3-one, 13-Iso-testosterone, 17-beta-Hydroxyandrost-4-en-3-one, 17-Hydroxy-(17-beta)-androst-4-en-3-one, 17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one, 17-Hydroxy-androst-4-en-3-one, 17-Hydroxy-D4-androsten-3-one, 17a-Hydroxy-(13a)-androst-4-en-3-one, 17a-Hydroxy-13a-androst-4-en-3-one, 17a-Hydroxy-14b-androst-4-en-3-one, 17a-Hydroxy-androst-4-en-3-one, 17b-Hydroxy-(10a)-androst-4-en-3-one, 17b-Hydroxy-(13a)-androst-4-en-3-one, 17b-Hydroxy-(8a,10a)-androst-4-en-3-one, 17b-Hydroxy-(8a)-androst-4-en-3-one, 17b-Hydroxy-(9b,10a)-androst-4-en-3-one, 17b-Hydroxy-(9b)-androst-4-en-3-one, 17b-Hydroxy-13a-androst-4-en-3-one, 17b-hydroxy-4-androsten-3-one, 17b-Hydroxy-8a-androst-4-en-3-one, 17b-Hydroxy-androst-4-en-3-on, 17b-hydroxy-androst-4-en-3-one, 17b-Hydroxy-D4-androsten-3-one, 17b-Hydroxyandrost-4-en-3-one, 17b-Hydroxyandrost-4-ene-3-one, 17b-Testosterone, 17beta-Hydroxy-3-oxo-4-androstene, 17beta-hydroxy-4-androsten-3-one, 17beta-Hydroxyandrost-4-ene-3-one, 17beta-Testosterone, 17β-hydroxy-4-androsten-3-one, 4-Androsten-17b-ol-3-one, 4-androsten-17beta-ol-3-one, 4-Androsten-17β-ol-3-one, 4-Androsten-3-one-17b-ol, 4-androstene-17beta-ol-3-one, 8-Iso-testosterone, 9b-Testosterone, 9b,10a-Testosterone, Androderm, AndroGel, Androlin, Andronaq, Andropatch, Androst-4-en-17b-ol-3-one, Androst-4-en-17beta-ol-3-one, Androst-4-ene-17b-ol-3-one, Andrusol, Atmos, Cristerona t, D4-Androsten-17b-ol-3-one, Epitestosteron, Geno-cristaux gremy, Homosteron, Homosterone, Lumitestosteron, Mertestate, Neotestis, Oreton, Orquisteron, Perandren, Percutacrine androgenique, Primotest, Primoteston, rac-17b-Hydroxy-(13a)androst-4-en-3-one, rac-17b-Hydroxy-(8a)-androst-4-en-3-one, rac-17b-Hydroxy-(9b,10a)androst-4-en-3-one, rac-17b-Hydroxy-androst-4-en-3-one, Relibra, Retrotestosterone, Sustanon, Sustanone, Sustason 250, Synandrol F, Teslen, Testandrone, Testiculosterone, Testim, Testobase, Testoderm, Testogel, Testolent, Testolin, Testopropon, Testosteroid, Testosteron, Testosterona, Testosterone, BAN, INN, USAN, Testosteronum, Testoviron schering, Testoviron t, Testro aq, Testrone, Testryl, Tostrelle, Tostrex, Viatrel, Virilon, Virormone, Virosterone |
| Substituent Name | Androgen-skeleton, 17-hydroxysteroid, Oxosteroid, Hydroxysteroid, 3-oxosteroid, 3-oxo-delta-4-steroid, Delta-4-steroid, Cyclic alcohol, Cyclic ketone, Secondary alcohol, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic homopolycyclic compound |
| Compound Name | 17-Hydroxyandrost-4-en-3-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 288.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7198722 |
| Inchi | InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3 |
| Smiles | CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all