(1'S)-1'-O-methyl-7-chloroaverantin
| Internal ID | e49ed679-2e0d-43be-aaf6-b9d50555b67a |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-chloro-1,3,6,8-tetrahydroxy-7-[(1S)-1-methoxyhexyl]anthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H21ClO7/c1-3-4-5-6-13(29-2)16-11(23)7-9-14(20(16)27)19(26)15-10(18(9)25)8-12(24)17(22)21(15)28/h7-8,13,23-24,27-28H,3-6H2,1-2H3/t13-/m0/s1 |
| InChI Key | KGTDNRSYXXWABH-ZDUSSCGKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H21ClO7 |
| Molecular Weight | 420.80 g/mol |
| Exact Mass | 420.0975807 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.60 |
| SCHEMBL23522424 |
| (1'S)-1'-O-methyl-7-chloroaverantin |
| 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 | 99.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.88% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.40% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.38% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.96% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.58% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.75% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.37% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.95% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.91% | 85.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.58% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.44% | 89.63% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.81% | 96.90% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.10% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.13% | 92.68% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.25% | 93.56% |
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 | 60199738 |
| LOTUS | LTS0123629 |
| wikiData | Q77492586 |