2-(4,6-Dihydroxy-8-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione
| Internal ID | 85d292bf-785f-4976-bbff-a563541a046e |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-(4,6-dihydroxy-8-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC(=CC2=C1C(=O)C3=C(C2=O)C(=CC(=C3)C4=C(C5=C(C=C4C)C(=O)C6=C(C5=O)C(=CC=C6)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1C(=O)C3=C(C2=O)C(=CC(=C3)C4=C(C5=C(C=C4C)C(=O)C6=C(C5=O)C(=CC=C6)O)O)O)O |
| InChI | InChI=1S/C30H18O8/c1-11-6-14(31)10-18-22(11)27(35)17-8-13(9-20(33)24(17)28(18)36)21-12(2)7-16-25(29(21)37)30(38)23-15(26(16)34)4-3-5-19(23)32/h3-10,31-33,37H,1-2H3 |
| InChI Key | ZRRZSYXEHVZHQQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H18O8 |
| Molecular Weight | 506.50 g/mol |
| Exact Mass | 506.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 5.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.41% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.61% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.03% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.14% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.02% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.86% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.51% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.46% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.50% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.93% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.71% | 91.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.15% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.53% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.46% | 93.65% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.60% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.35% | 93.03% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 81.93% | 83.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.89% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.70% | 96.38% |
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.
| Kniphofia ensifolia |
| PubChem | 76321113 |
| NPASS | NPC19631 |
| ChEMBL | CHEMBL3104735 |