6-Hydroxy-3-(3-hydroxy-5-oxo-4-undecylfuran-2-ylidene)-5-methoxy-7-undecyl-1-benzofuran-2-one
| Internal ID | d7b91b68-c620-4ca7-8d8f-ff521a878ab8 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 6-hydroxy-3-(3-hydroxy-5-oxo-4-undecylfuran-2-ylidene)-5-methoxy-7-undecyl-1-benzofuran-2-one |
| SMILES (Canonical) | CCCCCCCCCCCC1=C(C(=C2C3=CC(=C(C(=C3OC2=O)CCCCCCCCCCC)O)OC)OC1=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC1=C(C(=C2C3=CC(=C(C(=C3OC2=O)CCCCCCCCCCC)O)OC)OC1=O)O |
| InChI | InChI=1S/C35H52O7/c1-4-6-8-10-12-14-16-18-20-22-25-30(36)28(40-3)24-27-29(35(39)41-32(25)27)33-31(37)26(34(38)42-33)23-21-19-17-15-13-11-9-7-5-2/h24,36-37H,4-23H2,1-3H3 |
| InChI Key | VLDCOHDFSSUUGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H52O7 |
| Molecular Weight | 584.80 g/mol |
| Exact Mass | 584.37130399 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 12.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.02% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.99% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.95% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.70% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.78% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.03% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.00% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.38% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.31% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.28% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.26% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.93% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.94% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.55% | 92.94% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 83.96% | 85.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.86% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.86% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.86% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.67% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.55% | 95.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.37% | 93.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.14% | 82.38% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.06% | 95.34% |
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.
| Aegiceras corniculatum |
| PubChem | 76183470 |
| LOTUS | LTS0159329 |
| wikiData | Q105288299 |