6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-hydroxyhexyl)anthracene-9,10-dione)
| Internal ID | 5036db67-1eea-41dd-b652-e1164e8938e2 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3,8-trihydroxy-2-[(1S)-1-hydroxyhexyl]-6-[4,5,7-trihydroxy-6-[(1S)-1-hydroxyhexyl]-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)O)O)O)O |
| 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)O)O)O)O |
| InChI | InChI=1S/C40H38O13/c1-3-5-7-9-23(41)33-27(45)15-21-31(39(33)51)37(49)29-19(35(21)47)11-17(13-25(29)43)53-18-12-20-30(26(44)14-18)38(50)32-22(36(20)48)16-28(46)34(40(32)52)24(42)10-8-6-4-2/h11-16,23-24,41-46,51-52H,3-10H2,1-2H3/t23-,24-/m0/s1 |
| InChI Key | IBUCESIIJVZXSR-ZEQRLZLVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H38O13 |
| Molecular Weight | 726.70 g/mol |
| Exact Mass | 726.23124126 g/mol |
| Topological Polar Surface Area (TPSA) | 239.00 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 | 99.41% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.20% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.14% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.04% | 92.68% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.80% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.00% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.09% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.82% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.67% | 97.29% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.29% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.87% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.23% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.62% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.60% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.49% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.03% | 91.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.89% | 92.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.24% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.94% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.40% | 93.18% |
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 | 146683320 |
| LOTUS | LTS0071805 |
| wikiData | Q105110781 |