Adlumidiceine enol lactone
| Internal ID | 28abafbe-1c03-4613-a7e3-bbef68d3b517 |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones |
| IUPAC Name | (6E)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]furo[3,4-g][1,3]benzodioxol-8-one |
| SMILES (Canonical) | CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OCO2 |
| SMILES (Isomeric) | CN(C)CCC1=CC2=C(C=C1/C=C/3\C4=C(C5=C(C=C4)OCO5)C(=O)O3)OCO2 |
| InChI | InChI=1S/C21H19NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-13(12)8-16-14-3-4-15-20(27-11-24-15)19(14)21(23)28-16/h3-4,7-9H,5-6,10-11H2,1-2H3/b16-8+ |
| InChI Key | XTKRQNDALPUYMD-LZYBPNLTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H19NO6 |
| Molecular Weight | 381.40 g/mol |
| Exact Mass | 381.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 3.40 |
| 51059-67-7 |
| 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 | 98.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.61% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.55% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.14% | 89.00% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 93.01% | 81.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.71% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.63% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.92% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.48% | 94.80% |
| CHEMBL240 | Q12809 | HERG | 86.38% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.99% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.55% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.41% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.38% | 100.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.23% | 96.25% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.82% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.40% | 95.93% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.21% | 80.96% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.65% | 90.08% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.07% | 82.67% |
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.
| Papaver rhoeas |
| PubChem | 6442709 |
| LOTUS | LTS0212723 |
| wikiData | Q104398826 |