Lupinacidin A
| Internal ID | 5dacd751-4d6f-4586-b7d9-619ca6a0aaf3 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3,5-trihydroxy-2-methyl-4-(3-methylbutyl)anthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O5/c1-9(2)7-8-12-15-16(18(23)10(3)17(12)22)19(24)11-5-4-6-13(21)14(11)20(15)25/h4-6,9,21-23H,7-8H2,1-3H3 |
| InChI Key | WWUQQOQPOGZVSK-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 5.40 |
| CHEMBL231549 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.38% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.08% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.58% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.13% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.56% | 94.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.42% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.19% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.93% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.40% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.81% | 99.23% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.61% | 95.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.54% | 97.21% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.66% | 90.24% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.56% | 91.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.30% | 96.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.11% | 93.03% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.06% | 96.37% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.73% | 96.00% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 81.53% | 95.52% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.35% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 23628280 |
| LOTUS | LTS0043126 |
| wikiData | Q77516449 |