CID 14314520
| Internal ID | a4172989-bdef-412e-9cdc-1e8aeec06a7c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | |
| SMILES (Canonical) | CC1C(=O)C(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCCC25CO5)COC(=O)C)O |
| SMILES (Isomeric) | CC1C(=O)C(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCCC25CO5)COC(=O)C)O |
| InChI | InChI=1S/C24H30O9/c1-13-19(27)20(28)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(16-6-8-29-10-16)33-21(23)32-15(3)26/h6,8,10,13,17-18,20-21,28H,4-5,7,9,11-12H2,1-3H3 |
| InChI Key | FYIKMNJCJWVGLP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O9 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.93% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.13% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.06% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.78% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.27% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.74% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.75% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.80% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.04% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.97% | 94.80% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.91% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.95% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.59% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 81.31% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.04% | 92.50% |
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.
To see more specific details click the taxa you are interested in.
| Teucrium lanigerum |
| Teucrium polium |
| Teucrium vincentinum |
| PubChem | 14314520 |
| LOTUS | LTS0157240 |
| wikiData | Q105004506 |