Bacillcoumacin G
| Internal ID | addabc55-dd29-42d8-af59-6a0ee987372d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (2Z)-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]-2-(5-oxopyrrolidin-2-ylidene)acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24N2O5/c1-11(2)8-14(22-18(25)10-13-6-7-17(24)21-13)16-9-12-4-3-5-15(23)19(12)20(26)27-16/h3-5,10-11,14,16,23H,6-9H2,1-2H3,(H,21,24)(H,22,25)/b13-10-/t14-,16-/m0/s1 |
| InChI Key | JXGHXIFIIWVALX-JJPUIBJASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O5 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.50 |
| (3Z)-N-((1S)-1-((3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl)-3-(5-oxopyrrolidin-3-ylidene)propanamide |
| (3Z)-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]-3-(5-oxopyrrolidin-3-ylidene)propanamide |
| RefChem:116231 |
| CHEBI:198308 |
| (2Z)-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]-2-(5-oxopyrrolidin-2-ylidene)acetamide |
| 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 | 98.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.48% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.61% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 93.43% | 83.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.17% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.59% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.48% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.81% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.56% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.15% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.25% | 97.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.72% | 80.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.20% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.40% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.33% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.59% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.32% | 99.15% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.68% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.60% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.06% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.97% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.62% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.46% | 90.08% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.33% | 99.35% |
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 | 139583338 |
| LOTUS | LTS0089206 |
| wikiData | Q75059205 |