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Virescenoside Z10

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 53c22fb4-ea75-444c-96c8-6578862485a5
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides
IUPAC Name (2S,3S,4R,5S,6R)-6-[[(1S,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H38O9/c1-5-24(2)8-6-14-13(11-24)15(27)10-16-25(14,3)9-7-17(28)26(16,4)12-34-23-20(31)18(29)19(30)21(35-23)22(32)33/h5,16-21,23,28-31H,1,6-12H2,2-4H3,(H,32,33)/t16-,17+,18-,19+,20+,21+,23-,24+,25-,26-/m1/s1
InChI Key DNQZUAXROQGMJJ-WOVSAFNCSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H38O9
Molecular Weight 494.60 g/mol
Exact Mass 494.25158279 g/mol
Topological Polar Surface Area (TPSA) 154.00 Ų
XlogP 1.50

Synonyms

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(2S,3S,4R,5S,6R)-6-[[(1S,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4R,5S,6R)-6-(((1S,2S,4as,7S,10ar)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-9-oxo-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthren-1-yl)methoxy)-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4R,5S,6R)-6-(((1S,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl)methoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4R,5S,6R)-6-{[(1S,2S,4as,7S,10ar)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-9-oxo-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthren-1-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylate
RefChem:194408
CHEBI:209016

2D Structure

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2D Structure of Virescenoside Z10

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 95.24% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 94.99% 90.17%
CHEMBL4040 P28482 MAP kinase ERK2 94.08% 83.82%
CHEMBL2581 P07339 Cathepsin D 92.83% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.33% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.77% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.15% 94.45%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.52% 93.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.73% 95.89%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 85.50% 93.04%
CHEMBL5028 O14672 ADAM10 85.44% 97.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.28% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.83% 97.09%
CHEMBL1902 P62942 FK506-binding protein 1A 83.50% 97.05%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.24% 91.07%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.07% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.59% 99.17%

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 146683082
LOTUS LTS0076715
wikiData Q104985701