(3S)-3,8,9-trihydroxy-6-methoxy-3,7-dimethyl-2,4-dihydroanthracen-1-one
| Internal ID | 4607a01f-639a-4095-975d-808342f4f068 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (3S)-3,8,9-trihydroxy-6-methoxy-3,7-dimethyl-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H18O5/c1-8-12(22-3)5-9-4-10-6-17(2,21)7-11(18)13(10)16(20)14(9)15(8)19/h4-5,19-21H,6-7H2,1-3H3/t17-/m0/s1 |
| InChI Key | YYVFJEFIHRGYRX-KRWDZBQOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.70 |
| 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 | 98.15% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.53% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.77% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.45% | 94.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.85% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.82% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.60% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.13% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.14% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.69% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.04% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.02% | 94.42% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.24% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.71% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.53% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.08% | 98.75% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.68% | 98.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.41% | 92.68% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.57% | 97.36% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.88% | 91.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.50% | 99.15% |
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.
| Senna occidentalis |
| PubChem | 162965261 |
| LOTUS | LTS0133539 |
| wikiData | Q105368936 |