1-(3-Acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-2-methylanthra-9,10-quinone
| Internal ID | b04e6bc0-2802-4cf3-9fdf-f6e5185ee293 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O)C(=O)C)O)C(=O)C4=C(C2=O)C(=CC=C4)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O)C(=O)C)O)C(=O)C4=C(C2=O)C(=CC=C4)O)O |
| InChI | InChI=1S/C23H16O8/c1-8-6-12(26)19-20(21(29)10-4-3-5-11(25)17(10)23(19)31)15(8)18-14(28)7-13(27)16(9(2)24)22(18)30/h3-7,25-28,30H,1-2H3 |
| InChI Key | ANEQQIJCYHLALG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H16O8 |
| Molecular Weight | 420.40 g/mol |
| Exact Mass | 420.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 3.90 |
| CHEMBL1966096 |
| NSC-695598 |
| NCI60_034183 |
| 1-(3-acetyl-2,4,6-trihydroxy-phenyl)-4,5-dihydroxy-2-methyl-anthracene-9,10-dione |
| 1-(3-Acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-2-methylanthra-9,10-quinone |
| 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 | 97.63% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.20% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.02% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.96% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.01% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.42% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.82% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.62% | 93.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.95% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.06% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.42% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.11% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.10% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.83% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.41% | 95.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.25% | 96.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.05% | 91.00% |
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.
| Bulbine abyssinica |
| Bulbine capitata |
| Bulbine frutescens |
| PubChem | 438991 |
| LOTUS | LTS0208571 |
| wikiData | Q104664503 |