(3R)-3,6,8,9-tetrahydroxy-3-methyl-5-[(7R)-2,4,7,10-tetrahydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]-2,4-dihydroanthracen-1-one
| Internal ID | dd77d1ff-556d-4de4-8ef0-a1d52dbe30f6 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (3R)-3,6,8,9-tetrahydroxy-3-methyl-5-[(7R)-2,4,7,10-tetrahydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O10/c1-29(39)7-11-3-13-23(15(31)5-17(33)25(13)27(37)21(11)19(35)9-29)24-14-4-12-8-30(2,40)10-20(36)22(12)28(38)26(14)18(34)6-16(24)32/h3-6,31-34,37-40H,7-10H2,1-2H3/t29-,30-/m1/s1 |
| InChI Key | WMJQXMBWACGEPG-LOYHVIPDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H26O10 |
| Molecular Weight | 546.50 g/mol |
| Exact Mass | 546.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (3R)-3,6,8,9-tetrahydroxy-3-methyl-5-[(7R)-2,4,7,10-tetrahydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]-2,4-dihydroanthracen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/47aa0660-85b9-11ee-8954-ad9e9976c407.jpg "2D Structure of (3R)-3,6,8,9-tetrahydroxy-3-methyl-5-[(7R)-2,4,7,10-tetrahydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]-2,4-dihydroanthracen-1-one")
| 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 | 99.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.87% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.75% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.74% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.29% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.47% | 96.21% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.23% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.21% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.50% | 96.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.10% | 80.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.60% | 85.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.55% | 92.68% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.95% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.95% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.84% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.69% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.53% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.33% | 99.23% |
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 | 162874960 |
| LOTUS | LTS0063298 |
| wikiData | Q105308618 |