CID 14158700
| Internal ID | f6f71c65-9470-427d-ba3d-d4153e21b3d6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha-acyloxy carbonyl compounds > Alpha-acyloxy ketones |
| IUPAC Name | |
| SMILES (Canonical) | CC(=O)OC1(C(=O)C2C3C(CCCC3(C14CCC5(O4)CC(OC5)O)C)(C(=O)O2)C)C |
| SMILES (Isomeric) | CC(=O)OC1(C(=O)C2C3C(CCCC3(C14CCC5(O4)CC(OC5)O)C)(C(=O)O2)C)C |
| InChI | InChI=1S/C22H30O8/c1-12(23)29-20(4)16(25)14-15-18(2,17(26)28-14)6-5-7-19(15,3)22(20)9-8-21(30-22)10-13(24)27-11-21/h13-15,24H,5-11H2,1-4H3 |
| InChI Key | YPFSOWQXNOLVDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O8 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.50 |
| 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 | 96.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.84% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.95% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.71% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.42% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.97% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.38% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.12% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.84% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.29% | 82.69% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.08% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.81% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.72% | 93.03% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.16% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.61% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.33% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.29% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.21% | 97.50% |
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.
| Leonurus cardiaca |
| PubChem | 14158700 |
| LOTUS | LTS0220178 |
| wikiData | Q105351661 |