Dankastatin B
| Internal ID | 1a98e193-2e15-482f-b81d-c6b8d112deff |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans |
| IUPAC Name | (2E,4E,6R)-N-[(3S,4aS,8R,8aR)-6,8-dichloro-4a-hydroxy-7-oxo-3,4,8,8a-tetrahydro-2H-chromen-3-yl]-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-17-12-23(29)13-18(24)21(28)20(25)22(23)30-14-17/h9-11,13,15,17,20,22,29H,4-8,12,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,17+,20+,22+,23+/m1/s1 |
| InChI Key | FOYHOCBUHQKEDQ-HUWMOLIRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H33Cl2NO4 |
| Molecular Weight | 458.40 g/mol |
| Exact Mass | 457.1786639 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 5.80 |
| CHEMBL256282 |
| (2E,4E,6R)-N-[(3S,4aS,8R,8aR)-6,8-dichloro-4a-hydroxy-7-oxo-3,4,8,8a-tetrahydro-2H-chromen-3-yl]-4,6-dimethyldodeca-2,4-dienamide |
| 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 | 97.51% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.08% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.89% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.75% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.53% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.75% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.61% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.39% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.30% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.10% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.15% | 98.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.96% | 95.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.61% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.83% | 94.73% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.92% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.95% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.70% | 92.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.63% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.22% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.77% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.26% | 100.00% |
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 | 24854522 |
| LOTUS | LTS0106745 |
| wikiData | Q75062567 |