CID 163195031
| Internal ID | 96d79834-b0df-4e73-8985-4817230a4693 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | |
| SMILES (Canonical) | CC1=C(C(=O)C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCCC25CO5)COC(=O)C)O |
| SMILES (Isomeric) | CC1=C(C(=O)[C@@]2([C@@H]([C@@]13C[C@H](O[C@H]3OC(=O)C)C4=COC=C4)CCC[C@]25CO5)COC(=O)C)O |
| InChI | InChI=1S/C24H28O9/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/h6,8,10,17-18,21,27H,4-5,7,9,11-12H2,1-3H3/t17-,18+,21+,22-,23+,24-/m0/s1 |
| InChI Key | HIPMUUMEVGAKCD-SEXQDQJWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O9 |
| Molecular Weight | 460.50 g/mol |
| Exact Mass | 460.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 1.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.66% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.03% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.37% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.36% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.31% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.89% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.86% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.13% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.02% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.89% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.98% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.63% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.05% | 85.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.81% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.06% | 100.00% |
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 |
| PubChem | 163195031 |
| LOTUS | LTS0190251 |
| wikiData | Q105028950 |