Cyclolanceaefolic Acid Methyl Ester
| Internal ID | 7200f68f-72a3-48b6-bf75-eeb9ea1437c4 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | methyl 8-hydroxy-2,2-dimethyl-4-oxo-3H-chromene-6-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H14O5/c1-13(2)6-10(15)8-4-7(12(16)17-3)5-9(14)11(8)18-13/h4-5,14H,6H2,1-3H3 |
| InChI Key | JEMYSNUBQLQPHJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H14O5 |
| Molecular Weight | 250.25 g/mol |
| Exact Mass | 250.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.50 |
| CHEMBL500850 |
| methyl 8-hydroxy-2,2-dimethyl-4-oxochromane-6-carboxylate |
| 8-Hydroxy-2,2'-dimethyl-6-carboxychroman-4-one methyl ester |
| 8-Hydroxy-2,2-dimethyl-4-oxo-chroman-6-carboxylic acid methyl ester |
| 2H-1-benzopyran-6-carboxylic acid, 3,4-dihydro-8-hydroxy-2,2-dimethyl-4-oxo-, methyl ester |
| InChI=1/C13H14O5/c1-13(2)6-10(15)8-4-7(12(16)17-3)5-9(14)11(8)18-13/h4-5,14H,6H2,1-3H |
| 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 | 98.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.89% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.78% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.75% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.90% | 85.30% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.84% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.14% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.70% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.51% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.53% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.49% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.95% | 94.42% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.17% | 92.94% |
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 | 637426 |
| LOTUS | LTS0090290 |
| wikiData | Q105126214 |