9-(1,8-Dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-5,10-dihydroxy-2-methoxy-7-methylanthracene-1,4-dione
| Internal ID | 140a85aa-8ee9-441a-a2a8-b72854c94add |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 9-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-5,10-dihydroxy-2-methoxy-7-methylanthracene-1,4-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C=C(C(=O)C3=C2C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)OC)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C=C(C(=O)C3=C2C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)OC)O |
| InChI | InChI=1S/C32H22O10/c1-11-5-13-21(16(33)7-11)31(39)25-18(35)10-20(42-4)29(37)27(25)23(13)26-19(41-3)9-15-24(32(26)40)30(38)22-14(28(15)36)6-12(2)8-17(22)34/h5-10,33-34,39-40H,1-4H3 |
| InChI Key | CSNMBHGRIJRLJQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H22O10 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 5.80 |
| 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 | 98.41% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.40% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.05% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.59% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.94% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.54% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.97% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.97% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.94% | 96.21% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.94% | 96.67% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.34% | 92.68% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.00% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.41% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.00% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.54% | 96.90% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.56% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.03% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.01% | 86.33% |
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.
| Senna multiglandulosa |
| Senna sophera |
| PubChem | 101691100 |
| LOTUS | LTS0177092 |
| wikiData | Q104969450 |