Androsterone Sulfate

Details

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Internal ID de42850d-ba71-4e93-8493-c4cfd9fcf808
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Sulfated steroids
IUPAC Name [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1
InChI Key ZMITXKRGXGRMKS-HLUDHZFRSA-N
Popularity 37 references in papers

Physical and Chemical Properties

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Molecular Formula C19H30O5S
Molecular Weight 370.50 g/mol
Exact Mass 370.18139523 g/mol
Topological Polar Surface Area (TPSA) 89.10 Ų
XlogP 3.30

Synonyms

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Androsterone monosulfate
Andros-S
2479-86-9
5alpha-Androsterone sulfate
Androsterone 3alpha-sulfate
3alpha-Sulfate-5alpha-androstan-17-one
UK5M12Z93J
5Alpha-androstane-3Alpha-ol-17-one sulfate
CHEMBL2074598
CHEBI:83037
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Androsterone Sulfate

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 92.99% 96.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 92.95% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.83% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.84% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.18% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.74% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.37% 92.94%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 88.86% 82.69%
CHEMBL1871 P10275 Androgen Receptor 88.04% 96.43%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.69% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.44% 99.23%
CHEMBL3524 P56524 Histone deacetylase 4 85.33% 92.97%
CHEMBL1937 Q92769 Histone deacetylase 2 85.25% 94.75%
CHEMBL340 P08684 Cytochrome P450 3A4 84.62% 91.19%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.53% 91.11%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 84.27% 93.03%
CHEMBL3921 Q9Y251 Heparanase 82.98% 94.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.27% 94.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 159663
LOTUS LTS0074671
wikiData Q27156586