CID 139585094
| Internal ID | 60ef5ef2-eb35-4845-a919-20bfed71ca8a |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (3R,6aR,7R,12aR)-6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H20O5/c1-9-7-10-5-6-19(24)16(14(10)13(21)8-9)17(22)11-3-2-4-12(20)15(11)18(19)23/h2-4,9,16,18,20,23-24H,5-8H2,1H3/t9-,16+,18-,19-/m1/s1 |
| InChI Key | CRULJZWXPCYLAC-BXXNDXQRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 0.50 |
| 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 | 98.46% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.31% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.03% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.02% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.87% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.17% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.22% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.75% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.49% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.39% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.32% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.29% | 90.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.97% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.67% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.36% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.52% | 91.24% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 82.31% | 93.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.02% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.35% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.20% | 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 | 139585094 |
| LOTUS | LTS0200140 |
| wikiData | Q77383247 |