6-Methoxy-9-oxo-9H-xanthene-2-carboxylic acid methyl ester
| Internal ID | 48f6676e-f2df-4e36-b900-990c5cb9033c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | methyl 6-methoxy-9-oxoxanthene-2-carboxylate |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC |
| InChI | InChI=1S/C16H12O5/c1-19-10-4-5-11-14(8-10)21-13-6-3-9(16(18)20-2)7-12(13)15(11)17/h3-8H,1-2H3 |
| InChI Key | HLNNOSVYGGFKMC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12O5 |
| Molecular Weight | 284.26 g/mol |
| Exact Mass | 284.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.40 |
| 2-Carbomethoxy-6-methoxyxanthone |
| 6-Methoxy-9-oxo-9H-xanthene-2-carboxylic acid methyl ester |
| 9H-xanthene-2-carboxylic acid, 6-methoxy-9-oxo-, methyl ester |
| InChI=1/C16H12O5/c1-19-10-4-5-11-14(8-10)21-13-6-3-9(16(18)20-2)7-12(13)15(11)17/h3-8H,1-2H |
| 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 | 98.36% | 91.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 93.25% | 87.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.41% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.40% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.71% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.52% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.85% | 90.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.79% | 81.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.26% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.63% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.43% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.06% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.85% | 95.56% |
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.
| Calophyllum teysmannii |
| PubChem | 637117 |
| LOTUS | LTS0086015 |
| wikiData | Q105030227 |