(10R)-10-(3-acetyl-4,6-dihydroxy-2-methoxyphenyl)-1,8,10-trihydroxy-3-methylanthracen-9-one
| Internal ID | 0750020d-36e9-4951-9595-446a116a2f06 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (10R)-10-(3-acetyl-4,6-dihydroxy-2-methoxyphenyl)-1,8,10-trihydroxy-3-methylanthracen-9-one |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4=C(C=C(C(=C4OC)C(=O)C)O)O)O)C=CC=C3O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@]2(C4=C(C=C(C(=C4OC)C(=O)C)O)O)O)C=CC=C3O |
| InChI | InChI=1S/C24H20O8/c1-10-7-13-20(15(27)8-10)22(30)19-12(5-4-6-14(19)26)24(13,31)21-17(29)9-16(28)18(11(2)25)23(21)32-3/h4-9,26-29,31H,1-3H3/t24-/m1/s1 |
| InChI Key | YYRWFFHWAITJEB-XMMPIXPASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O8 |
| Molecular Weight | 436.40 g/mol |
| Exact Mass | 436.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.65% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.19% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.96% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.74% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.28% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.43% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.27% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.73% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.60% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.48% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.57% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.29% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.10% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.63% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.65% | 91.07% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.93% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.77% | 96.00% |
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.
| Kniphofia foliosa |
| PubChem | 162881973 |
| LOTUS | LTS0233366 |
| wikiData | Q105368880 |