4-(3-acetyl-2,6-dihydroxy-4-methoxy-phenyl)-1,8-dihydroxy-3-methyl-10H-anthracen-9-one
| Internal ID | ebb99082-9426-4c04-b4da-f133d82c409e |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 4-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-1,8-dihydroxy-3-methyl-10H-anthracen-9-one |
| SMILES (Canonical) | CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)OC)C(=O)C)O)CC4=C(C2=O)C(=CC=C4)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)OC)C(=O)C)O)CC4=C(C2=O)C(=CC=C4)O)O |
| InChI | InChI=1S/C24H20O7/c1-10-7-15(27)21-13(8-12-5-4-6-14(26)20(12)24(21)30)18(10)22-16(28)9-17(31-3)19(11(2)25)23(22)29/h4-7,9,26-29H,8H2,1-3H3 |
| InChI Key | IYRXGHQWARDYRT-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C24H20O7 |
| Molecular Weight | 420.40 g/mol |
| Exact Mass | 420.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.70 |
| CHEMBL5182155 |
| SCHEMBL16226019 |
| BDBM86110 |
| 4-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-1,8-dihydroxy-3-methyl-10H-anthracen-9-one |
| 9(10H)-Anthracenone, 4-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-1,8-dihydroxy-3-methyl- |
| 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 | 98.03% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.99% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.61% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.35% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.21% | 91.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.01% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.96% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.81% | 99.23% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.78% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.65% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.29% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.91% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.58% | 91.19% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.44% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.57% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.95% | 97.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.39% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.88% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.20% | 95.89% |
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 |
| Kniphofia foliosa |
| PubChem | 10093576 |
| LOTUS | LTS0155263 |
| wikiData | Q104403204 |