Stoloniferone S

Details

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Internal ID 4efb1755-c588-4f4e-8be3-243d15806f21
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids
IUPAC Name (2R,5R,6R,8S,9S,10R,11R,13R,14S,17R)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H46O5/c1-14(2)15(3)17-11-18(17)16(4)20-7-8-21-19-12-24(32)29(34)10-9-22(30)26(33)28(29,6)25(19)23(31)13-27(20,21)5/h9-10,14-25,30-32,34H,7-8,11-13H2,1-6H3/t15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,27-,28+,29+/m1/s1
InChI Key VLHHDCPLZKAFIF-SEQHCROOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C29H46O5
Molecular Weight 474.70 g/mol
Exact Mass 474.33452456 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Stoloniferone S

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.31% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.92% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.65% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.92% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 93.49% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.85% 97.09%
CHEMBL221 P23219 Cyclooxygenase-1 91.06% 90.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.15% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 89.74% 96.77%
CHEMBL1871 P10275 Androgen Receptor 88.64% 96.43%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.23% 97.25%
CHEMBL2581 P07339 Cathepsin D 87.06% 98.95%
CHEMBL226 P30542 Adenosine A1 receptor 86.18% 95.93%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.76% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.77% 95.89%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.52% 82.69%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.52% 99.23%
CHEMBL4208 P20618 Proteasome component C5 82.11% 90.00%
CHEMBL2996 Q05655 Protein kinase C delta 82.00% 97.79%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.40% 86.33%

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 24865196
LOTUS LTS0210571
wikiData Q105288401