2-[1-(2,4-Dihydroxy-6-methylphenyl)hexyl]-1,3,8-trihydroxy-6-(3-hydroxy-5-methylphenoxy)anthracene-9,10-dione
| Internal ID | 59b6aba3-1e4e-4967-9962-6d45db0982af |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-[1-(2,4-dihydroxy-6-methylphenyl)hexyl]-1,3,8-trihydroxy-6-(3-hydroxy-5-methylphenoxy)anthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H32O9/c1-4-5-6-7-22(28-17(3)10-19(36)12-25(28)37)29-27(39)15-24-31(33(29)41)34(42)30-23(32(24)40)13-21(14-26(30)38)43-20-9-16(2)8-18(35)11-20/h8-15,22,35-39,41H,4-7H2,1-3H3 |
| InChI Key | XCDDUYKMEGUGBT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H32O9 |
| Molecular Weight | 584.60 g/mol |
| Exact Mass | 584.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 2-[1-(2,4-Dihydroxy-6-methylphenyl)hexyl]-1,3,8-trihydroxy-6-(3-hydroxy-5-methylphenoxy)anthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bd230b60-840a-11ee-9284-27902f4760c2.jpg "2D Structure of 2-[1-(2,4-Dihydroxy-6-methylphenyl)hexyl]-1,3,8-trihydroxy-6-(3-hydroxy-5-methylphenoxy)anthracene-9,10-dione")
| 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 | 99.46% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.24% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 96.25% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.92% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.84% | 91.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.57% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.39% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.27% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 93.20% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.62% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.68% | 96.21% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.60% | 93.18% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.44% | 93.31% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.78% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.31% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.23% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.82% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.79% | 96.38% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.66% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.08% | 96.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.36% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.08% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.62% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.74% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.70% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.57% | 92.08% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.56% | 94.42% |
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.
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| There are no matching plants. |
| PubChem | 137635102 |
| LOTUS | LTS0133817 |
| wikiData | Q104200837 |