1,4,10-Trimethoxyanthracene-2-carboxylic acid
| Internal ID | 191b7d4d-cdf4-4c44-af31-604f651fa222 |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | 1,4,10-trimethoxyanthracene-2-carboxylic acid |
| SMILES (Canonical) | COC1=CC(=C(C2=CC3=CC=CC=C3C(=C21)OC)OC)C(=O)O |
| SMILES (Isomeric) | COC1=CC(=C(C2=CC3=CC=CC=C3C(=C21)OC)OC)C(=O)O |
| InChI | InChI=1S/C18H16O5/c1-21-14-9-13(18(19)20)16(22-2)12-8-10-6-4-5-7-11(10)17(23-3)15(12)14/h4-9H,1-3H3,(H,19,20) |
| InChI Key | IDTMYXXKXJEOIE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.90 |
| 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 | 94.39% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.03% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.43% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.66% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.27% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.29% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.04% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.06% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.62% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.39% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.73% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.89% | 98.95% |
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.
| Coussarea macrophylla |
| PubChem | 10870669 |
| LOTUS | LTS0072414 |
| wikiData | Q105111524 |