2-(Hex-1-en-1-yl)-1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione
| Internal ID | 7c861f45-830a-4e3c-b257-3e7c3cc7b9fc |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-[(E)-hex-1-enyl]-1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione |
| SMILES (Canonical) | CCCCC=CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O |
| SMILES (Isomeric) | CCCC/C=C/C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O |
| InChI | InChI=1S/C21H20O6/c1-3-4-5-6-7-12-15(22)10-14-18(20(12)25)21(26)17-13(19(14)24)8-11(27-2)9-16(17)23/h6-10,22-23,25H,3-5H2,1-2H3/b7-6+ |
| InChI Key | SRLJDAXYSSKFRO-VOTSOKGWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.80 |
| 30359-05-8 |
| 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 | 98.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.84% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.17% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.43% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.03% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.15% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.80% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.08% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.17% | 96.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.01% | 93.31% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.55% | 92.68% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.39% | 95.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.38% | 97.21% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.81% | 80.00% |
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 | 127257879 |
| LOTUS | LTS0124845 |
| wikiData | Q105259267 |