(4S)-4,9-dihydroxy-8-methoxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
| Internal ID | 379e78cb-9ca2-47b9-a875-6052207df88d |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (4S)-4,9-dihydroxy-8-methoxy-6-methyl-3,4-dihydro-2H-anthracen-1-one |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(=O)CCC3O)C(=C2C(=C1)OC)O |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(=O)CC[C@@H]3O)C(=C2C(=C1)OC)O |
| InChI | InChI=1S/C16H16O4/c1-8-5-9-7-10-11(17)3-4-12(18)15(10)16(19)14(9)13(6-8)20-2/h5-7,11,17,19H,3-4H2,1-2H3/t11-/m0/s1 |
| InChI Key | MJYOMLOZJVCNBR-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.29 g/mol |
| Exact Mass | 272.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 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 | 98.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.83% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.09% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.72% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.77% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.84% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.36% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.78% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.33% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.96% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.70% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.68% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.45% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.04% | 91.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.32% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.18% | 94.45% |
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.
| Eremurus chinensis |
| PubChem | 74764104 |
| LOTUS | LTS0217419 |
| wikiData | Q105165748 |