9-Hydroxy-8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
| Internal ID | dfb76b6c-de09-43f2-afde-2cb18aacdb95 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 9-hydroxy-8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid |
| SMILES (Canonical) | COC1=C(C=CC2=C1C=CC3=C2C4=C(C=C3C(=O)O)OCO4)O |
| SMILES (Isomeric) | COC1=C(C=CC2=C1C=CC3=C2C4=C(C=C3C(=O)O)OCO4)O |
| InChI | InChI=1S/C17H12O6/c1-21-15-10-3-2-9-11(17(19)20)6-13-16(23-7-22-13)14(9)8(10)4-5-12(15)18/h2-6,18H,7H2,1H3,(H,19,20) |
| InChI Key | LOTHZJVMOTZFRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-8-methoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/9-hydroxy-8-methoxynaphtho21-g13benzodioxole-5-carboxylic-acid.jpg "2D Structure of 9-Hydroxy-8-methoxynaphtho[2,1-g][1,3]benzodioxole-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 | 99.20% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.58% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.25% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.11% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.92% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.57% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.09% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.05% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.64% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.63% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.60% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.69% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 82.60% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.29% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.94% | 91.19% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.88% | 94.42% |
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.
| Aristolochia cucurbitifolia |
| Aristolochia kaempferi |
| PubChem | 10664410 |
| LOTUS | LTS0079323 |
| wikiData | Q105154914 |