4-(3,4-Dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid
| Internal ID | 38aaf326-90f9-4ed5-b778-f3f529627841 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxylic acids |
| IUPAC Name | 4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=C3C=C(C(=CC3=CC(=C2)C(=O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=C3C=C(C(=CC3=CC(=C2)C(=O)O)O)O)O)O |
| InChI | InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23) |
| InChI Key | ZSKDVJYWOHBGNI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.90 |
| 121242-02-2 |
| 4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid |
| 3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy)phenylnaphthalene |
| SCHEMBL5825926 |
| DTXSID40153201 |
| AKOS040752284 |
| 4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalen |
| 3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene |
| 6,7-dihydroxy-4-(3,4-dihydroxy phenyl)naphthalene-2-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.57% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.45% | 99.15% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 91.75% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.71% | 98.95% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 89.70% | 89.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.76% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 86.12% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.89% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.31% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.37% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.34% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.38% | 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.
| Bazzania trilobata |
| Chiloscyphus polyanthos |
| Pellia epiphylla |
| PubChem | 195328 |
| LOTUS | LTS0213874 |
| wikiData | Q83020062 |