5-(3-Carboxy-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl)-6-oxopyran-2-carboxylic acid
| Internal ID | f6dcd97d-196a-49e7-8030-47a16ab91a29 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxylic acids |
| IUPAC Name | 5-(3-carboxy-6,7-dihydroxy-1,2-dihydronaphthalen-1-yl)-6-oxopyran-2-carboxylic acid |
| SMILES (Canonical) | C1C(C2=CC(=C(C=C2C=C1C(=O)O)O)O)C3=CC=C(OC3=O)C(=O)O |
| SMILES (Isomeric) | C1C(C2=CC(=C(C=C2C=C1C(=O)O)O)O)C3=CC=C(OC3=O)C(=O)O |
| InChI | InChI=1S/C17H12O8/c18-12-5-7-3-8(15(20)21)4-11(10(7)6-13(12)19)9-1-2-14(16(22)23)25-17(9)24/h1-3,5-6,11,18-19H,4H2,(H,20,21)(H,22,23) |
| InChI Key | SVMOVSBWONXIKW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O8 |
| Molecular Weight | 344.30 g/mol |
| Exact Mass | 344.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 1.60 |
| 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 | 98.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.08% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.99% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.84% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.79% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.24% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.21% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.00% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.34% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.16% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.66% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.11% | 91.19% |
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.
| Syzygiella autumnalis |
| PubChem | 101683768 |
| LOTUS | LTS0184581 |
| wikiData | Q105262208 |