1,8-Dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione
| Internal ID | ba57cb07-c18e-4c71-92aa-32b12009c47c |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)anthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H26O10/c1-12-5-15-24(18(33)6-12)30(38)26-16(28(15)36)9-21(42-4)27(31(26)39)22-14-7-13(41-3)8-19(34)23(14)29(37)25-17(22)10-32(2,40)11-20(25)35/h5-9,33-34,37,39-40H,10-11H2,1-4H3 |
| InChI Key | LKMSWRVEGLONJV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H26O10 |
| Molecular Weight | 570.50 g/mol |
| Exact Mass | 570.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 5.00 |
| 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 | 99.55% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.89% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.07% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.18% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.05% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.58% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.60% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.79% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.58% | 92.68% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.40% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.18% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.07% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.61% | 91.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.01% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.85% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.58% | 98.75% |
| CHEMBL240 | Q12809 | HERG | 89.76% | 89.76% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.19% | 91.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.72% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.12% | 91.19% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.07% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.64% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.50% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.32% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.89% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.99% | 93.31% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.47% | 92.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.08% | 97.14% |
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 | 102318018 |
| LOTUS | LTS0215960 |
| wikiData | Q105153152 |