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Cuniloside

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 4e38a541-2f1e-41a1-9d24-bf92293e177d
Taxonomy Lipids and lipid-like molecules > Saccharolipids
IUPAC Name [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16?,17?,18-,19-,20+,21-,24+/m1/s1
InChI Key JOLLIDAUJSAZHE-NXLZJJLUSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C26H40O10
Molecular Weight 512.60 g/mol
Exact Mass 512.26214747 g/mol
Topological Polar Surface Area (TPSA) 163.00 Ų
XlogP 0.80

Synonyms

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160525-54-2
AKOS040735660
NCGC00385101-01
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
NCGC00385101-01_C26H40O10_1,6-Bis-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranose

2D Structure

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2D Structure of Cuniloside

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.91% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.71% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.42% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.96% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 93.31% 94.73%
CHEMBL5255 O00206 Toll-like receptor 4 88.60% 92.50%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.49% 97.09%
CHEMBL4040 P28482 MAP kinase ERK2 86.37% 83.82%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.89% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.37% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.95% 94.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.38% 100.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.32% 94.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.30% 89.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.75% 96.77%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.70% 93.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.68% 95.89%

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.
Cunila spicata

Cross-Links

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PubChem 51136390
LOTUS LTS0133854
wikiData Q105132407