2,8-dihydroxy-1,3-dimethyl-2,3,4,10-tetrahydro-1H-anthracen-9-one
| Internal ID | 9ecda017-e33c-419e-8c47-a96cce4441f8 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 2,8-dihydroxy-1,3-dimethyl-2,3,4,10-tetrahydro-1H-anthracen-9-one |
| SMILES (Canonical) | CC1CC2=C(C(C1O)C)C(=O)C3=C(C2)C=CC=C3O |
| SMILES (Isomeric) | CC1CC2=C(C(C1O)C)C(=O)C3=C(C2)C=CC=C3O |
| InChI | InChI=1S/C16H18O3/c1-8-6-11-7-10-4-3-5-12(17)14(10)16(19)13(11)9(2)15(8)18/h3-5,8-9,15,17-18H,6-7H2,1-2H3 |
| InChI Key | NLDKLBWJYYUDLP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O3 |
| Molecular Weight | 258.31 g/mol |
| Exact Mass | 258.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.65% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.93% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.08% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.66% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.67% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.41% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.90% | 93.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.68% | 95.62% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 84.67% | 91.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.26% | 93.99% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.54% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.47% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.05% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
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 | 163075095 |
| LOTUS | LTS0123858 |
| wikiData | Q105181288 |