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Showing Compound Testosterone (FDB011544)

Record Information
Version1.0
Creation date2010-04-08 22:09:42 UTC
Update date2019-11-26 03:05:04 UTC
Primary IDFDB011544
Secondary Accession Numbers
  • FDB021799
Chemical Information
FooDB NameTestosterone
DescriptionTestosterone-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.
CAS Number58-22-0
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+-)-8-Iso-testosteroneHMDB
(+-)-RetrotestosteroneHMDB
(+-)-TestosteroneHMDB
(+)-TestosteroneHMDB
(17b)-17-hydroxy-androst-4-en-3-onebiospider
(17beta)-17-Hydroxyandrost-4-en-3-onebiospider
13-Iso-testosteroneHMDB
17-beta-Hydroxyandrost-4-en-3-onebiospider
17-Hydroxy-(17-beta)-androst-4-en-3-onebiospider
17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-oneHMDB
17-Hydroxy-androst-4-en-3-oneHMDB
17-Hydroxy-D4-androsten-3-oneHMDB
17a-Hydroxy-(13a)-androst-4-en-3-oneHMDB
17a-Hydroxy-13a-androst-4-en-3-oneHMDB
17a-Hydroxy-14b-androst-4-en-3-oneHMDB
17a-Hydroxy-androst-4-en-3-oneHMDB
17b-Hydroxy-(10a)-androst-4-en-3-oneHMDB
17b-Hydroxy-(13a)-androst-4-en-3-oneHMDB
17b-Hydroxy-(8a,10a)-androst-4-en-3-oneHMDB
17b-Hydroxy-(8a)-androst-4-en-3-oneHMDB
17b-Hydroxy-(9b,10a)-androst-4-en-3-oneHMDB
17b-Hydroxy-(9b)-androst-4-en-3-oneHMDB
17b-Hydroxy-13a-androst-4-en-3-oneHMDB
17b-hydroxy-4-androsten-3-onebiospider
17b-Hydroxy-8a-androst-4-en-3-oneHMDB
17b-Hydroxy-androst-4-en-3-onHMDB
17b-hydroxy-androst-4-en-3-onebiospider
17b-Hydroxy-D4-androsten-3-onebiospider
17b-Hydroxyandrost-4-en-3-onebiospider
17b-Hydroxyandrost-4-ene-3-onebiospider
17b-Testosteronebiospider
17beta-Hydroxy-3-oxo-4-androstenebiospider
17beta-hydroxy-4-androsten-3-onebiospider
17beta-Hydroxyandrost-4-ene-3-onebiospider
17beta-Testosteronemanual
17β-hydroxy-4-androsten-3-oneGenerator
4-Androsten-17b-ol-3-oneGenerator
4-androsten-17beta-ol-3-onebiospider
4-Androsten-17β-ol-3-oneGenerator
4-Androsten-3-one-17b-olbiospider
4-androstene-17beta-ol-3-onebiospider
8-Iso-testosteroneHMDB
9b-TestosteroneHMDB
9b,10a-TestosteroneHMDB
AndrodermChEBI
AndroGelHMDB
AndrolinHMDB
AndronaqHMDB
AndropatchHMDB
Androst-4-en-17b-ol-3-onebiospider
Androst-4-en-17beta-ol-3-onebiospider
Androst-4-ene-17b-ol-3-onebiospider
AndrusolHMDB
Atmosdb_source
Cristerona tHMDB
D4-Androsten-17b-ol-3-oneHMDB
EpitestosteronHMDB
Geno-cristaux gremyHMDB
HomosteronHMDB
HomosteroneHMDB
LumitestosteronHMDB
MertestateHMDB
NeotestisHMDB
OretonHMDB
OrquisteronHMDB
PerandrenHMDB
Percutacrine androgeniqueHMDB
PrimotestHMDB
PrimotestonHMDB
rac-17b-Hydroxy-(13a)androst-4-en-3-oneHMDB
rac-17b-Hydroxy-(8a)-androst-4-en-3-oneHMDB
rac-17b-Hydroxy-(9b,10a)androst-4-en-3-oneHMDB
rac-17b-Hydroxy-androst-4-en-3-oneHMDB
RelibraHMDB
RetrotestosteroneHMDB
SustanonHMDB
SustanoneHMDB
Sustason 250HMDB
Synandrol FHMDB
TeslenHMDB
TestandroneHMDB
TesticulosteroneHMDB
Testimbiospider
TestobaseHMDB
TestodermHMDB
TestogelHMDB
TestolentHMDB
TestolinHMDB
TestoproponHMDB
TestosteroidHMDB
TestosteronChEBI
TestosteronaChEBI
Testosterone, BAN, INN, USANdb_source
TestosteronumChEBI
Testoviron scheringHMDB
Testoviron tHMDB
Testro aqHMDB
TestroneHMDB
TestrylHMDB
TostrelleHMDB
TostrexHMDB
ViatrelHMDB
Virilonbiospider
Virormonebiospider
Virosteronebiospider
Predicted Properties
PropertyValueSource
Water Solubility0.033 g/LALOGPS
logP2.99ALOGPS
logP3.37ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)19.09ChemAxon
pKa (Strongest Basic)-0.88ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity84.43 m³·mol⁻¹ChemAxon
Polarizability33.95 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC19H28O2
IUPAC name14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
InChI IdentifierInChI=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
InChI KeyMUMGGOZAMZWBJJ-UHFFFAOYSA-N
Isomeric SMILESCC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O
Average Molecular Weight288.4244
Monoisotopic Molecular Weight288.20893014
Classification
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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassAndrostane steroids
Direct ParentAndrogens and derivatives
Alternative Parents
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
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 79.12%; H 9.78%; O 11.09%DFC
Melting PointMp 155°DFC
Boiling PointNot Available
Experimental Water Solubility0.0234 mg/mL at 25 oCYALKOWSKY,SH & HE,Y (2003)
Experimental logP3.32HANSCH,C ET AL. (1995)
Experimental pKaNot Available
Isoelectric pointNot Available
Charge0
Optical Rotation[a]D +109 (c, 4 in EtOH)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSTestosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-074i-0390000000-716c73dd5d52f9cbab37Spectrum
Predicted GC-MSTestosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSTestosterone, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSTestosterone, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSTestosterone, TBDMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-000j-6590000000-90559b7f14a4d7b6ae46Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0090000000-ac5ada836b20cb197ccbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0229-0890000000-8fcbb72c7bdeea1aac2cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-06tf-6900000000-d90e7678475c3781f386Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0090000000-383f8ad782110ec64fbfSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0090000000-383f8ad782110ec64fbfSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0090000000-e43162eb38a15e8045b7Spectrum
NMRNot Available
ChemSpider ID5791
ChEMBL IDCHEMBL386630
KEGG Compound IDC00535
Pubchem Compound ID6013
Pubchem Substance IDNot Available
ChEBI ID17347
Phenol-Explorer IDNot Available
DrugBank IDDB00624
HMDB IDHMDB00234
CRC / DFC (Dictionary of Food Compounds) IDBCH30-O:GQL45-N
EAFUS IDNot Available
Dr. Duke IDTESTOSTERONE
BIGG ID35280
KNApSAcK IDC00003675
HET IDTES
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDTestosterone
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
anabolic36413 A compound which stimulates anabolism and inhibits catabolism. Anabolic agents stimulate the development of muscle mass, strength, and power.DUKE
androgenicDUKE
anti anemic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti climactericDUKE
anti hemophilic50248 Drug that acts on blood and blood-forming organs and those that affect the hemostatic system.DUKE
anti hypogonadicDUKE
anti osteoporotic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
antitumor35610 A substance that inhibits or prevents the proliferation of neoplasms.DUKE
aphrodisiacDUKE
calcium-sparingDUKE
carcinogenic50903 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.DUKE
Enzymes
NameGene NameUniProt ID
UDP-glucuronosyltransferase 2B28UGT2B28Q9BY64
UDP-glucuronosyltransferase 2B4UGT2B4P06133
UDP-glucuronosyltransferase 1-4UGT1A4P22310
UDP-glucuronosyltransferase 2B10UGT2B10P36537
UDP-glucuronosyltransferase 2B7UGT2B7P16662
UDP-glucuronosyltransferase 2B15UGT2B15P54855
UDP-glucuronosyltransferase 2A1UGT2A1Q9Y4X1
UDP-glucuronosyltransferase 1-1UGT1A1P22309
UDP-glucuronosyltransferase 1-9UGT1A9O60656
UDP-glucuronosyltransferase 1-8UGT1A8Q9HAW9
UDP-glucuronosyltransferase 1-3UGT1A3P35503
UDP-glucuronosyltransferase 1-10UGT1A10Q9HAW8
UDP-glucuronosyltransferase 2B17UGT2B17O75795
UDP-glucuronosyltransferase 1-6UGT1A6P19224
UDP-glucuronosyltransferase 1-5UGT1A5P35504
UDP-glucuronosyltransferase 2B11UGT2B11O75310
UDP-glucuronosyltransferase 1-7UGT1A7Q9HAW7
Sex hormone-binding globulinSHBGP04278
UDP-glucuronosyltransferase 2A3UGT2A3Q6UWM9
Cytochrome P450, family 1, subfamily A, polypeptide 1CYP1A1A0N0X8
Cytochrome P450 2D6CYP2D6Q6NWU0
Glutathione S-transferase A3GSTA3Q16772
Estrogen sulfotransferaseSULT1E1P49888
3-oxo-5-beta-steroid 4-dehydrogenaseAKR1D1P51857
3-oxo-5-alpha-steroid 4-dehydrogenase 2SRD5A2P31213
3-oxo-5-alpha-steroid 4-dehydrogenase 1SRD5A1P18405
Testosterone 17-beta-dehydrogenase 3HSD17B3P37058
Androgen receptorARP10275
Natriuretic peptides BNPPBP16860
Polyprenol reductaseSRD5A3Q9H8P0
Pathways
NameSMPDB LinkKEGG Link
Androgen and Estrogen MetabolismSMP00068 map00150
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).