3,9-Dihydroxy-6-methoxy-2,2,4,8-tetramethyl-3,4-dihydroanthracen-1-one
| Internal ID | fe9ac326-85b5-4694-aff5-add77b2fc9d3 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 3,9-dihydroxy-6-methoxy-2,2,4,8-tetramethyl-3,4-dihydroanthracen-1-one |
| SMILES (Canonical) | CC1C(C(C(=O)C2=C1C=C3C=C(C=C(C3=C2O)C)OC)(C)C)O |
| SMILES (Isomeric) | CC1C(C(C(=O)C2=C1C=C3C=C(C=C(C3=C2O)C)OC)(C)C)O |
| InChI | InChI=1S/C19H22O4/c1-9-6-12(23-5)7-11-8-13-10(2)17(21)19(3,4)18(22)15(13)16(20)14(9)11/h6-8,10,17,20-21H,1-5H3 |
| InChI Key | OESBOFOLUGQCCR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.10 |
| 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 | 99.19% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.99% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.11% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.81% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.39% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.39% | 92.68% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.95% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.28% | 96.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.69% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.76% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.39% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.15% | 91.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.66% | 92.94% |
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 | 14604918 |
| LOTUS | LTS0070924 |
| wikiData | Q105190497 |