Berkchaetoazaphilone C
| Internal ID | b5661a4e-1dcf-4efd-872b-b5fb7cce1b27 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (7R,8R)-7-hydroxy-3-[(2S)-2-hydroxypropyl]-7-methyl-8-(2-oxoundecyl)-8H-isochromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-19(26)15-22-21-16-29-20(12-17(2)25)13-18(21)14-23(27)24(22,3)28/h13-14,16-17,22,25,28H,4-12,15H2,1-3H3/t17-,22+,24+/m0/s1 |
| InChI Key | KWLPMOKGFOGTQX-VXWZWFMZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H36O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.40 |
| CHEMBL3759451 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.54% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.94% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.72% | 99.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.70% | 93.67% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.13% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.79% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.70% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.31% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.54% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.00% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.83% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.96% | 86.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.86% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.74% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.59% | 98.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.54% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.39% | 89.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.19% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.38% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.90% | 85.30% |
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.
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| There are no matching plants. |
| PubChem | 127028676 |
| LOTUS | LTS0133060 |
| wikiData | Q77421228 |