CID 162919008
| Internal ID | 1402091e-26c6-4519-b596-7c477c2c9621 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | |
| SMILES (Canonical) | CC1CC(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC(C25CO5)O)COC(=O)C)O |
| SMILES (Isomeric) | CC1CC(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC(C25CO5)O)COC(=O)C)O |
| InChI | InChI=1S/C24H32O9/c1-13-8-20(28)23(11-30-14(2)25)18(4-5-19(27)24(23)12-31-24)22(13)9-17(16-6-7-29-10-16)33-21(22)32-15(3)26/h6-7,10,13,17-21,27-28H,4-5,8-9,11-12H2,1-3H3 |
| InChI Key | XEAJUPNWARIHFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O9 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 0.90 |
| 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 | 98.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.17% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.46% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.31% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.46% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.44% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.66% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.89% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.38% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.06% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.21% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 82.18% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.67% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.86% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.52% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.23% | 83.82% |
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 gracile |
| PubChem | 162919008 |
| LOTUS | LTS0073079 |
| wikiData | Q105326202 |