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(-)-Virescenoside N

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID b0b17534-a92e-4411-9239-b038124f7e6c
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides
IUPAC Name (2R,3S,4R,5S,6R)-2-[[(1S,2R,3R,4aR,4bR,7R,9R,10aR)-7-ethenyl-2,3,9-trihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H42O9/c1-5-24(2)7-6-14-13(9-24)15(28)8-18-25(14,3)10-16(29)22(33)26(18,4)12-34-23-21(32)20(31)19(30)17(11-27)35-23/h5,9,14-23,27-33H,1,6-8,10-12H2,2-4H3/t14-,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+/m0/s1
InChI Key VLYNKGFRDOHHTR-ANAFCSLDSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H42O9
Molecular Weight 498.60 g/mol
Exact Mass 498.28288291 g/mol
Topological Polar Surface Area (TPSA) 160.00 Ų
XlogP 0.40

Synonyms

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(2R,3S,4R,5S,6R)-2-[[(1S,2R,3R,4aR,4bR,7R,9R,10aR)-7-ethenyl-2,3,9-trihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3S,4R,5S,6R)-2-(((1S,2R,3R,4aR,4bR,7R,9R,10aR)-7-ethenyl-2,3,9-trihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
RefChem:67996
CHEBI:200889

2D Structure

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2D Structure of (-)-Virescenoside N

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 98.95% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.59% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.54% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.61% 96.09%
CHEMBL1977 P11473 Vitamin D receptor 91.95% 99.43%
CHEMBL226 P30542 Adenosine A1 receptor 91.06% 95.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.48% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.35% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.20% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 85.85% 94.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.98% 86.33%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 83.65% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.16% 95.56%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 82.95% 91.24%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 82.95% 95.83%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.11% 82.69%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.28% 89.00%
CHEMBL237 P41145 Kappa opioid receptor 80.50% 98.10%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 21606529
LOTUS LTS0182125
wikiData Q77280509