Blennolide E
| Internal ID | 4fd87178-5224-403d-9341-7458c611edcd |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | methyl (2R)-5-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromene-2-carboxylate |
| SMILES (Canonical) | CC1C(C(=O)OC1C2(CC(=O)C3=C(C=CC=C3O2)O)C(=O)OC)O |
| SMILES (Isomeric) | C[C@H]1[C@H](C(=O)O[C@@H]1[C@]2(CC(=O)C3=C(C=CC=C3O2)O)C(=O)OC)O |
| InChI | InChI=1S/C16H16O8/c1-7-12(19)14(20)23-13(7)16(15(21)22-2)6-9(18)11-8(17)4-3-5-10(11)24-16/h3-5,7,12-13,17,19H,6H2,1-2H3/t7-,12+,13-,16+/m0/s1 |
| InChI Key | OMVHTLWAVUQCOT-RBFYFKTFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O8 |
| Molecular Weight | 336.29 g/mol |
| Exact Mass | 336.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 | 98.93% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.57% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.34% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.07% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.66% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.36% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.77% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.37% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.68% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.23% | 98.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.87% | 94.80% |
| CHEMBL5028 | O14672 | ADAM10 | 81.67% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.54% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.49% | 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 | 24894611 |
| LOTUS | LTS0062136 |
| wikiData | Q77564360 |