2-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-1-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
| Internal ID | 94a0036e-07bc-4d7c-995d-e0fc2a68e20e |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 2-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-1-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C(=C(C=C3O)OC)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C(=C(C=C3O)OC)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC |
| InChI | InChI=1S/C32H24O9/c1-12-5-14-9-15-24(30(37)23(14)18(33)7-12)20(35)11-22(41-4)26(15)28-21(40-3)10-17-27(32(28)39)31(38)25-16(29(17)36)6-13(2)8-19(25)34/h5-8,10-11,33-35,39H,9H2,1-4H3 |
| InChI Key | JHHMZQKFZCFPKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H24O9 |
| Molecular Weight | 552.50 g/mol |
| Exact Mass | 552.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 6.30 |
| 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 | 98.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.96% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.49% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.33% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.22% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.71% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.62% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.26% | 96.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.11% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.07% | 94.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 88.91% | 95.70% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.80% | 99.15% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.90% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.57% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.00% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.10% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.91% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.72% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 80.89% | 97.03% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.02% | 98.11% |
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 × floribunda |
| Senna tora |
| PubChem | 9985077 |
| LOTUS | LTS0160280 |
| wikiData | Q105127985 |