6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione)
| Internal ID | 1057bf27-1a02-4522-abf1-113c60566335 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3,8-trihydroxy-2-[(1S)-1-methoxyhexyl]-6-[4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-dioxoanthracen-2-yl]oxyanthracene-9,10-dione |
| SMILES (Canonical) | CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC4=CC5=C(C(=C4)O)C(=O)C6=C(C(=C(C=C6C5=O)O)C(CCCCC)OC)O)O)OC |
| SMILES (Isomeric) | CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC4=CC5=C(C(=C4)O)C(=O)C6=C(C(=C(C=C6C5=O)O)[C@H](CCCCC)OC)O)O)OC |
| InChI | InChI=1S/C42H42O13/c1-5-7-9-11-29(53-3)35-27(45)17-23-33(41(35)51)39(49)31-21(37(23)47)13-19(15-25(31)43)55-20-14-22-32(26(44)16-20)40(50)34-24(38(22)48)18-28(46)36(42(34)52)30(54-4)12-10-8-6-2/h13-18,29-30,43-46,51-52H,5-12H2,1-4H3/t29-,30-/m0/s1 |
| InChI Key | FMTOONJSDWEQTN-KYJUHHDHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C42H42O13 |
| Molecular Weight | 754.80 g/mol |
| Exact Mass | 754.26254139 g/mol |
| Topological Polar Surface Area (TPSA) | 217.00 Ų |
| XlogP | 8.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.15% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.58% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.22% | 92.68% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.45% | 95.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.09% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.60% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.50% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.63% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.53% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.36% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.84% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.37% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.32% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.17% | 99.15% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.78% | 97.29% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.69% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.98% | 91.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.79% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.64% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.34% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.59% | 94.45% |
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 | 146683319 |
| LOTUS | LTS0084180 |
| wikiData | Q104998039 |