Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:42 UTC |
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Update date | 2019-11-26 03:05:04 UTC |
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Primary ID | FDB011544 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Testosterone |
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Description | Testosterone-d3 belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Based on a literature review a significant number of articles have been published on Testosterone-d3. |
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CAS Number | 58-22-0 |
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Structure | |
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Synonyms | Synonym | Source |
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(+-)-8-Iso-testosterone | HMDB | (+-)-Retrotestosterone | HMDB | (+-)-Testosterone | HMDB | (+)-Testosterone | HMDB | (17b)-17-hydroxy-androst-4-en-3-one | biospider | (17beta)-17-Hydroxyandrost-4-en-3-one | biospider | 13-Iso-testosterone | HMDB | 17-beta-Hydroxyandrost-4-en-3-one | biospider | 17-Hydroxy-(17-beta)-androst-4-en-3-one | biospider | 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 | HMDB | 17-Hydroxy-androst-4-en-3-one | HMDB | 17-Hydroxy-D4-androsten-3-one | HMDB | 17a-Hydroxy-(13a)-androst-4-en-3-one | HMDB | 17a-Hydroxy-13a-androst-4-en-3-one | HMDB | 17a-Hydroxy-14b-androst-4-en-3-one | HMDB | 17a-Hydroxy-androst-4-en-3-one | HMDB | 17b-Hydroxy-(10a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(13a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(8a,10a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(8a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(9b,10a)-androst-4-en-3-one | HMDB | 17b-Hydroxy-(9b)-androst-4-en-3-one | HMDB | 17b-Hydroxy-13a-androst-4-en-3-one | HMDB | 17b-hydroxy-4-androsten-3-one | biospider | 17b-Hydroxy-8a-androst-4-en-3-one | HMDB | 17b-Hydroxy-androst-4-en-3-on | HMDB | 17b-hydroxy-androst-4-en-3-one | biospider | 17b-Hydroxy-D4-androsten-3-one | biospider | 17b-Hydroxyandrost-4-en-3-one | biospider | 17b-Hydroxyandrost-4-ene-3-one | biospider | 17b-Testosterone | biospider | 17beta-Hydroxy-3-oxo-4-androstene | biospider | 17beta-hydroxy-4-androsten-3-one | biospider | 17beta-Hydroxyandrost-4-ene-3-one | biospider | 17beta-Testosterone | manual | 17β-hydroxy-4-androsten-3-one | Generator | 4-Androsten-17b-ol-3-one | Generator | 4-androsten-17beta-ol-3-one | biospider | 4-Androsten-17β-ol-3-one | Generator | 4-Androsten-3-one-17b-ol | biospider | 4-androstene-17beta-ol-3-one | biospider | 8-Iso-testosterone | HMDB | 9b-Testosterone | HMDB | 9b,10a-Testosterone | HMDB | Androderm | ChEBI | AndroGel | HMDB | Androlin | HMDB | Andronaq | HMDB | Andropatch | HMDB | Androst-4-en-17b-ol-3-one | biospider | Androst-4-en-17beta-ol-3-one | biospider | Androst-4-ene-17b-ol-3-one | biospider | Andrusol | HMDB | Atmos | db_source | Cristerona t | HMDB | D4-Androsten-17b-ol-3-one | HMDB | Epitestosteron | HMDB | Geno-cristaux gremy | HMDB | Homosteron | HMDB | Homosterone | HMDB | Lumitestosteron | HMDB | Mertestate | HMDB | Neotestis | HMDB | Oreton | HMDB | Orquisteron | HMDB | Perandren | HMDB | Percutacrine androgenique | HMDB | Primotest | HMDB | Primoteston | HMDB | rac-17b-Hydroxy-(13a)androst-4-en-3-one | HMDB | rac-17b-Hydroxy-(8a)-androst-4-en-3-one | HMDB | rac-17b-Hydroxy-(9b,10a)androst-4-en-3-one | HMDB | rac-17b-Hydroxy-androst-4-en-3-one | HMDB | Relibra | HMDB | Retrotestosterone | HMDB | Sustanon | HMDB | Sustanone | HMDB | Sustason 250 | HMDB | Synandrol F | HMDB | Teslen | HMDB | Testandrone | HMDB | Testiculosterone | HMDB | Testim | biospider | Testobase | HMDB | Testoderm | HMDB | Testogel | HMDB | Testolent | HMDB | Testolin | HMDB | Testopropon | HMDB | Testosteroid | HMDB | Testosteron | ChEBI | Testosterona | ChEBI | Testosterone, BAN, INN, USAN | db_source | Testosteronum | ChEBI | Testoviron schering | HMDB | Testoviron t | HMDB | Testro aq | HMDB | Testrone | HMDB | Testryl | HMDB | Tostrelle | HMDB | Tostrex | HMDB | Viatrel | HMDB | Virilon | biospider | Virormone | biospider | Virosterone | biospider |
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Predicted Properties | |
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Chemical Formula | C19H28O2 |
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IUPAC name | 14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
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InChI Identifier | 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 |
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InChI Key | MUMGGOZAMZWBJJ-UHFFFAOYSA-N |
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Isomeric SMILES | CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O |
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Average Molecular Weight | 288.4244 |
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Monoisotopic Molecular Weight | 288.20893014 |
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Classification |
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Description | Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Androstane steroids |
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Direct Parent | Androgens and derivatives |
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Alternative Parents | |
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Substituents | - Androgen-skeleton
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- Hydroxysteroid
- Oxosteroid
- 17-hydroxysteroid
- Delta-4-steroid
- Cyclohexenone
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Cyclic ketone
- Organooxygen compound
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | C 79.12%; H 9.78%; O 11.09% | DFC |
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Melting Point | Mp 155° | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | 0.0234 mg/mL at 25 oC | YALKOWSKY,SH & HE,Y (2003) |
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Experimental logP | 3.32 | HANSCH,C ET AL. (1995) |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | 0 | |
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Optical Rotation | [a]D +109 (c, 4 in EtOH) | DFC |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Testosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-074i-0390000000-716c73dd5d52f9cbab37 | Spectrum | Predicted GC-MS | Testosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Testosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Testosterone, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Testosterone, TBDMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - 35V, Positive | splash10-000j-6590000000-90559b7f14a4d7b6ae46 | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0090000000-ac5ada836b20cb197ccb | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0229-0890000000-8fcbb72c7bdeea1aac2c | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06tf-6900000000-d90e7678475c3781f386 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-383f8ad782110ec64fbf | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-383f8ad782110ec64fbf | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0090000000-e43162eb38a15e8045b7 | 2021-10-12 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 5791 |
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ChEMBL ID | CHEMBL386630 |
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KEGG Compound ID | C00535 |
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Pubchem Compound ID | 6013 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 17347 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB00624 |
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HMDB ID | HMDB00234 |
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CRC / DFC (Dictionary of Food Compounds) ID | BCH30-O:GQL45-N |
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EAFUS ID | Not Available |
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Dr. Duke ID | TESTOSTERONE |
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BIGG ID | 35280 |
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KNApSAcK ID | C00003675 |
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HET ID | TES |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Testosterone |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
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Anabolic | 36413 | A substance that promotes tissue growth and repair, playing a biological role in muscle protein synthesis and bone density regulation. Therapeutically, anabolics are used to treat conditions like muscle wasting, osteoporosis, and hormone deficiencies, with key medical applications in orthopedics, endocrinology, and sports medicine. | DUKE | Androgenic | | An agent that stimulates male characteristic development and maintenance by binding to androgen receptors, used therapeutically to treat conditions like hypogonadism, androgen deficiency, and certain types of anemia, as well as for hormone replacement therapy and fertility treatment. | DUKE | Anti-anemic | 52217 | An agent that treats or prevents anemia by increasing red blood cell production or enhancing iron utilization, commonly used to manage iron-deficiency anemia, vitamin deficiency anemia, and other blood disorders, promoting healthy oxygen delivery to tissues and organs. | DUKE | Anti climacteric | | An agent that alleviates symptoms of male menopause, including reduced libido and sexual activity, by regulating hormonal imbalances, with therapeutic applications in managing andropause and key medical uses in treating age-related sexual dysfunction. | DUKE | Anti-hemophilic | 50248 | An agent that replaces or supplements clotting factor VIII or IX, essential for blood coagulation. Therapeutically, it's used to treat hemophilia A or B, reducing the risk of bleeding and promoting wound healing, commonly used in managing hemophilia and other bleeding disorders. | DUKE | Anti-hypogonadic | | An agent that stimulates sex hormone production in underactive gonads, treating hypogonadism. Therapeutically, it enhances fertility, libido, and overall reproductive health, commonly used in managing conditions like low testosterone and menopause. | DUKE | Anti osteoporotic | 52217 | An agent that prevents or treats osteoporosis by promoting bone density, reducing bone resorption, and increasing calcium absorption, commonly used in managing osteoporosis, osteopenia, and preventing fractures. | DUKE | Antitumor | 35610 | An agent that inhibits tumor growth and proliferation, playing a crucial role in cancer treatment. Therapeutically, antitumors are used to manage various types of cancer, including chemotherapy, targeted therapy, and immunotherapy, helping to reduce tumor size, prevent metastasis, and improve patient outcomes. | DUKE | Aphrodisiac | | A substance that stimulates sexual desire, playing a biological role in enhancing libido. It has therapeutic applications in treating sexual dysfunction and key medical uses in managing conditions such as erectile dysfunction and low sex drive. | DUKE | Calcium-sparing | | An agent that limits calcium excretion in urine, used as a diuretic to treat conditions like hypertension and edema, while helping maintain calcium levels and reducing the risk of osteoporosis and kidney stone formation. | DUKE | Carcinogenic | 50903 | An agent that causes cancer, damaging cellular DNA and disrupting normal cell growth. It has no therapeutic applications, but understanding its biological role informs cancer prevention and treatment strategies, with key medical uses in oncology research and risk assessment. | DUKE |
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Enzymes | Name | Gene Name | UniProt ID |
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UDP-glucuronosyltransferase 2B28 | UGT2B28 | Q9BY64 | UDP-glucuronosyltransferase 2B4 | UGT2B4 | P06133 | UDP-glucuronosyltransferase 1-4 | UGT1A4 | P22310 | UDP-glucuronosyltransferase 2B10 | UGT2B10 | P36537 | UDP-glucuronosyltransferase 2B7 | UGT2B7 | P16662 | UDP-glucuronosyltransferase 2B15 | UGT2B15 | P54855 | UDP-glucuronosyltransferase 2A1 | UGT2A1 | Q9Y4X1 | UDP-glucuronosyltransferase 1-1 | UGT1A1 | P22309 | UDP-glucuronosyltransferase 1-9 | UGT1A9 | O60656 | UDP-glucuronosyltransferase 1-8 | UGT1A8 | Q9HAW9 | UDP-glucuronosyltransferase 1-3 | UGT1A3 | P35503 | UDP-glucuronosyltransferase 1-10 | UGT1A10 | Q9HAW8 | UDP-glucuronosyltransferase 2B17 | UGT2B17 | O75795 | UDP-glucuronosyltransferase 1-6 | UGT1A6 | P19224 | UDP-glucuronosyltransferase 1-5 | UGT1A5 | P35504 | UDP-glucuronosyltransferase 2B11 | UGT2B11 | O75310 | UDP-glucuronosyltransferase 1-7 | UGT1A7 | Q9HAW7 | Sex hormone-binding globulin | SHBG | P04278 | UDP-glucuronosyltransferase 2A3 | UGT2A3 | Q6UWM9 | Cytochrome P450, family 1, subfamily A, polypeptide 1 | CYP1A1 | A0N0X8 | Cytochrome P450 2D6 | CYP2D6 | Q6NWU0 | Glutathione S-transferase A3 | GSTA3 | Q16772 | Estrogen sulfotransferase | SULT1E1 | P49888 | 3-oxo-5-beta-steroid 4-dehydrogenase | AKR1D1 | P51857 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | SRD5A2 | P31213 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | SRD5A1 | P18405 | Testosterone 17-beta-dehydrogenase 3 | HSD17B3 | P37058 | Androgen receptor | AR | P10275 | Natriuretic peptides B | NPPB | P16860 | Polyprenol reductase | SRD5A3 | Q9H8P0 |
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Pathways | |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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