Saringosterol 3-glucoside

Details

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Internal ID f8b4bba2-efa7-49c9-b6d3-e90561807742
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives
IUPAC Name 2-(hydroxymethyl)-6-[[17-(5-hydroxy-5-propan-2-ylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
SMILES (Canonical) CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)(C=C)O
SMILES (Isomeric) CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)(C=C)O
InChI InChI=1S/C35H58O7/c1-7-35(40,20(2)3)17-12-21(4)25-10-11-26-24-9-8-22-18-23(13-15-33(22,5)27(24)14-16-34(25,26)6)41-32-31(39)30(38)29(37)28(19-36)42-32/h7-8,20-21,23-32,36-40H,1,9-19H2,2-6H3
InChI Key MRNRLEVLPFVWRY-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C35H58O7
Molecular Weight 590.80 g/mol
Exact Mass 590.41825418 g/mol
Topological Polar Surface Area (TPSA) 120.00 Ų
XlogP 5.90

Synonyms

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CHEBI:172762
2-(hydroxymethyl)-6-[[17-(5-hydroxy-5-propan-2-ylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

2D Structure

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2D Structure of Saringosterol 3-glucoside

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.84% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.78% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.24% 97.25%
CHEMBL226 P30542 Adenosine A1 receptor 96.77% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.16% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.03% 97.09%
CHEMBL2581 P07339 Cathepsin D 93.24% 98.95%
CHEMBL237 P41145 Kappa opioid receptor 93.22% 98.10%
CHEMBL1994 P08235 Mineralocorticoid receptor 92.40% 100.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 91.15% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.78% 95.89%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.77% 93.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.46% 89.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 86.80% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.04% 86.33%
CHEMBL1977 P11473 Vitamin D receptor 83.86% 99.43%
CHEMBL1937 Q92769 Histone deacetylase 2 83.80% 94.75%
CHEMBL3401 O75469 Pregnane X receptor 83.58% 94.73%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 82.76% 89.05%
CHEMBL4581 P52732 Kinesin-like protein 1 82.41% 93.18%
CHEMBL2996 Q05655 Protein kinase C delta 82.19% 97.79%
CHEMBL344 Q99705 Melanin-concentrating hormone receptor 1 81.62% 92.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.30% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.18% 95.56%

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.
Panax ginseng

Cross-Links

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PubChem 131750895
LOTUS LTS0108093
wikiData Q105170759