Methyl 2-ethyl-2,5,6,10-tetrahydroxy-7-oxo-1,3,4,8,9,10-hexahydrotetracene-1-carboxylate
| Internal ID | 62d87dca-d5e0-40df-b571-66e6f8e66c6c |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | methyl 2-ethyl-2,5,6,10-tetrahydroxy-7-oxo-1,3,4,8,9,10-hexahydrotetracene-1-carboxylate |
| SMILES (Canonical) | CCC1(CCC2=C(C1C(=O)OC)C=C3C=C4C(CCC(=O)C4=C(C3=C2O)O)O)O |
| SMILES (Isomeric) | CCC1(CCC2=C(C1C(=O)OC)C=C3C=C4C(CCC(=O)C4=C(C3=C2O)O)O)O |
| InChI | InChI=1S/C22H24O7/c1-3-22(28)7-6-11-12(18(22)21(27)29-2)8-10-9-13-14(23)4-5-15(24)17(13)20(26)16(10)19(11)25/h8-9,14,18,23,25-26,28H,3-7H2,1-2H3 |
| InChI Key | HGFBNXFMFYYSTI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.08% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.04% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.69% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.50% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.16% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.14% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.47% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.30% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.95% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.87% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.48% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.27% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.25% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.43% | 95.17% |
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.
| There are no matching plants. |
| PubChem | 162853767 |
| LOTUS | LTS0096441 |
| wikiData | Q104167820 |