3-methoxy-8,10a-dimethyl-6,8a,9,10-tetrahydro-5H-anthracene-1,4-dione
| Internal ID | e192a8a0-4a2f-4993-a668-58b91dbe60d7 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 3-methoxy-8,10a-dimethyl-6,8a,9,10-tetrahydro-5H-anthracene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20O3/c1-10-5-4-6-17(2)9-12-11(7-13(10)17)14(18)8-15(20-3)16(12)19/h5,8,13H,4,6-7,9H2,1-3H3 |
| InChI Key | JAAVCMIVHLOCJJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O3 |
| Molecular Weight | 272.34 g/mol |
| Exact Mass | 272.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.80% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.00% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.17% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.86% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.45% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.64% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.91% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.55% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.31% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.00% | 85.30% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.72% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.55% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 95.89% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.08% | 98.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.72% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.42% | 96.00% |
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.
| Cordia millenii |
| PubChem | 163019749 |
| LOTUS | LTS0208519 |
| wikiData | Q105123638 |