3,4a,8,12b-Tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
| Internal ID | e38b2643-fbdf-4f05-a2e6-589047d78227 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 3,4a,8,12b-tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O7/c1-17(24)7-12(21)19(26)14-10(5-6-18(19,25)8-17)15(22)13-9(16(14)23)3-2-4-11(13)20/h2-4,20,24-26H,5-8H2,1H3 |
| InChI Key | GUYWBYSVTCSING-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 3,4a,8,12b-Tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/34a812b-tetrahydroxy-3-methyl-2456-tetrahydrobenzoaanthracene-1712-trione.jpg "2D Structure of 3,4a,8,12b-Tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione")
| 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 | 98.03% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.71% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.14% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.13% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.69% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.71% | 82.69% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.95% | 96.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.17% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.45% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.55% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.55% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.43% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.30% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.67% | 93.10% |
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 | 85114756 |
| LOTUS | LTS0074643 |
| wikiData | Q104167511 |