Bartoloside G
| Internal ID | 8c8c2d14-c8de-45af-856f-4dacb9dbc57c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1 |
| InChI Key | LZMVCENJBDTSPS-VFHZWBAFSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C36H63ClO6 |
| Molecular Weight | 627.30 g/mol |
| Exact Mass | 626.4313174 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 11.80 |
| CHEMBL4087228 |
| DTXSID801046534 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.34% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.19% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.94% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.79% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.82% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.69% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.34% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.34% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.93% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.37% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.19% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.16% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.11% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.03% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.32% | 96.95% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.22% | 96.25% |
| CHEMBL240 | Q12809 | HERG | 86.53% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.17% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.00% | 95.89% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.00% | 92.32% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.59% | 95.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.41% | 96.90% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.00% | 95.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.98% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.86% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.85% | 91.81% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.33% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.56% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.76% | 93.18% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.21% | 89.62% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 132582910 |
| LOTUS | LTS0069167 |
| wikiData | Q104246238 |