Phyto4Health

Testosterone

Representations & DB's id
ChEBI: CHEBI:17347
ChEMBL: CHEMBL386630
PubChem: 6013
IUPAC: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Standard 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/t14-,15-,16-,17-,18-,19-/m0/s1
Standard InChI Key: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C

Molecular propeties
AlogP: 3.88
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 4
Molecular Weight: 288.21
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.842
Number of carbons: 19

Plant sources

Part of plant Plant name Ref.
SemenLinum usitatissimum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki600 nMCytochrome P450 19A1P11511
IC5010000 nMCytochrome P450 3A4P08684
Others0.166 Amax nM-1Cytochrome P450 19A1P11511
IC503.9 nMAndrogen ReceptorP10275
Ki100000 nM3-beta-hydroxysteroid-delta(8),delta(7)-isomeraseQ15125
IC5010000 nMEstrogen receptor alphaP03372
IC502.7 nMAndrogen ReceptorP10275
IC5010000 nMEstrogen receptor betaQ92731
IC5014 nMTestis-specific androgen-binding proteinP04278
Others72 %Androgen ReceptorP10275
Others95 %Androgen ReceptorP10275
IC5010000 nMEstrogen receptor alphaP03372
IC5010000 nMEstrogen receptor betaQ92731
IC5010000 nMEstrogen receptor betaQ92731
EC5018300 nMG-protein coupled bile acid receptor 1Q8TDU6
IC5050000 nMCytochrome P450 51Q16850
Kd0.631 nMTestis-specific androgen-binding proteinP04278
Others6 %Androgen ReceptorP10275
Others41.1 %Cytochrome P450 3A4P08684
Others10.5 %Cytochrome P450 3A4P08684
Others4.38 %Cytochrome P450 3A4P08684
Others61 %Cytochrome P450 3A4P08684
Others10.4 %Cytochrome P450 3A4P08684
Others4.85 %Cytochrome P450 3A4P08684
Others69.4 %Cytochrome P450 3A4P08684
Others7.96 %Cytochrome P450 3A4P08684
Others11.46 %Cytochrome P450 3A4P08684
Others44.1 %Cytochrome P450 3A4P08684
Others7.82 %Cytochrome P450 3A4P08684
Others7.04 %Cytochrome P450 3A4P08684
Others103 %Cytochrome P450 3A4P08684
Others69.6 %Cytochrome P450 3A4P08684
Others69.7 %Cytochrome P450 3A4P08684
Others95 %Cytochrome P450 3A4P08684
Others98.7 %Cytochrome P450 3A4P08684
Others97.1 %Cytochrome P450 3A4P08684
Others140 %Canalicular multispecific organic anion transporter 1Q92887
EC503.162 nMAndrogen ReceptorP10275
Others7.5 %3-keto-steroid reductaseP56937
Potency5623.4 nMPrelamin-A/CP02545
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31.6 nMThyroid stimulating hormone receptorP16473
Potency31.6 nMThyroid stimulating hormone receptorP16473
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency12589.3 nMBeta-glucocerebrosidaseP04062
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others8 total picomolesUDP-glucuronosyltransferase 2B7P16662
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others0 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others0 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others4 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others0 pm/min/mgUDP-glucuronosyltransferase 1-7Q9HAW7
Others20 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others207 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Others0 pm/min/mgUDP-glucuronosyltransferase 2B10P36537
Others4 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
Others9 pm/min/mgUDP-glucuronosyltransferase 2B17O75795
Others9 pm/min/mgUDP-glucuronosyltransferase 2B17O75795
Others0 pm/min/mgUDP-glucuronosyltransferase 2B4P06133
Others0 pm/min/mgUDP-glucuronosyltransferase 2B4P06133
Others0 pm/min/mgUDP-glucuronosyltransferase 2B4P06133
Others0 pm/min/mgUDP-glucuronosyltransferase 2B4P06133
Others0 pm/min/mgUDP-glucuronosyltransferase 2B7P16662
Others0 pm/min/mgUDP-glucuronosyltransferase 2B7P16662
Others0 pm/min/mgUDP-glucuronosyltransferase 2B7P16662
Others2 Cytochrome P450 2C9P11712
Potency66824.2 nMNuclear factor erythroid 2-related factor 2Q16236
Potency730.8 nMGemininO75496
Potency74978 nMInterleukin-8P10145
Potency26603.2 nMNuclear receptor ROR-gammaP51449
IC504.571 nMAndrogen ReceptorP10275
Others0.1 %Androgen ReceptorP10275
Others100 %Androgen ReceptorP10275
Others-175.1 %Solute carrier organic anion transporter family member 2B1O94956
Others37.4 %Solute carrier organic anion transporter family member 1B3Q9NPD5
Others33.2 %Solute carrier organic anion transporter family member 1B1Q9Y6L6
Others2 %Androgen ReceptorP10275
Others100 %Androgen ReceptorP10275
Others100 %Androgen ReceptorP10275
IC504.17 nMAndrogen ReceptorP10275
IC504.27 nMAndrogen ReceptorP10275
IC5034 nMVoltage-gated L-type calcium channel alpha-1C subunitQ13936
IC5038.4 nMVoltage-gated L-type calcium channel alpha-1C subunitQ13936