1,3,4-Trihydroxy-5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
| Internal ID | 1b69f2bc-3b14-43ca-8a34-79f1a6f3e9a2 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3,4-trihydroxy-5-methoxy-9,10-dioxoanthracene-2-carbaldehyde |
| SMILES (Canonical) | COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C=O)O |
| SMILES (Isomeric) | COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C=O)O |
| InChI | InChI=1S/C16H10O7/c1-23-8-4-2-3-6-9(8)15(21)11-10(12(6)18)13(19)7(5-17)14(20)16(11)22/h2-5,19-20,22H,1H3 |
| InChI Key | AELKJPQNIIBNPO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H10O7 |
| Molecular Weight | 314.25 g/mol |
| Exact Mass | 314.04265265 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.79% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.84% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 96.74% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.98% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.33% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.37% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.70% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.20% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.14% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.98% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.27% | 90.20% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.81% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.26% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.74% | 80.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.31% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.17% | 93.03% |
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.
| Damnacanthus major |
| PubChem | 90471648 |
| LOTUS | LTS0097681 |
| wikiData | Q104910132 |