2-(5,10-Dihydroxy-7-methoxy-2-methyl-1,4-dioxo-2,3-dihydroanthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
| Internal ID | 89b9494d-017d-4f8f-bc20-6e6affb544f6 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 2-(5,10-dihydroxy-7-methoxy-2-methyl-1,4-dioxo-2,3-dihydroanthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1CC(=O)C2=C(C3=C(C=C(C=C3O)OC)C(=C2C1=O)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)O |
| SMILES (Isomeric) | CC1CC(=O)C2=C(C3=C(C=C(C=C3O)OC)C(=C2C1=O)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)O |
| InChI | InChI=1S/C32H24O10/c1-11-5-15-22(17(33)6-11)30(38)24-16(29(15)37)10-20(42-4)26(32(24)40)23-14-8-13(41-3)9-19(35)21(14)31(39)25-18(34)7-12(2)28(36)27(23)25/h5-6,8-10,12,33,35,39-40H,7H2,1-4H3 |
| InChI Key | ZKZUYYVXZXHDJO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H24O10 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 5.50 |
| 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 | 98.09% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.96% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.59% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.76% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.40% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.95% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.66% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.12% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.80% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.35% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.86% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.52% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.44% | 96.21% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.36% | 92.68% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.13% | 91.00% |
| CHEMBL240 | Q12809 | HERG | 88.73% | 89.76% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.31% | 91.79% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.45% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.81% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.50% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.35% | 91.19% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.02% | 92.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.87% | 99.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.76% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.60% | 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 sophera |
| PubChem | 162866490 |
| LOTUS | LTS0099470 |
| wikiData | Q105378819 |