8-Hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
| Internal ID | 4106060d-8981-4b9d-8a7d-f334e70cfcbb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Phthalate esters > m-Phthalate esters |
| IUPAC Name | 8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid |
| SMILES (Canonical) | CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)O |
| SMILES (Isomeric) | CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)O |
| InChI | InChI=1S/C11H10O5/c1-5-4-7-6(10(13)14)2-3-8(12)9(7)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14) |
| InChI Key | QRLBIKRXEQOMSF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C11H10O5 |
| Molecular Weight | 222.19 g/mol |
| Exact Mass | 222.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 2.00 |
| 5-Carboxymellein |
| 8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid |
| 3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-5-carboxylic acid |
| AKOS040734502 |
| 8-Hydroxy-3-methyl-1-oxoisochromane-5-carboxylic acid |
| 3,4-dihydro-8-hydroxy-3-methyl-1 h -2-benzopyran-1-one-5-carboxylic acid |
| NCGC00386094-01!8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid |
| 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 | 96.22% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.07% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.88% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.18% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.78% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.61% | 89.00% |
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.
| Azadirachta indica |
| Cladogynos orientalis |
| Pelargonium reniforme |
| Taxus mairei |
| Terminalia catappa |
| PubChem | 5242129 |
| LOTUS | LTS0082285 |
| wikiData | Q105129407 |