Ardisiaquinone E
| Internal ID | 8c26cbce-6a75-4169-a89a-abfc0eaa1a82 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Resorcinols |
| IUPAC Name | 3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | COC1=CC(=O)C(=C(C1=O)CCCCCCCC=CCCCCCCCC2=CC(=CC(=C2)O)O)O |
| SMILES (Isomeric) | COC1=CC(=O)C(=C(C1=O)CCCCCCC/C=C\CCCCCCCC2=CC(=CC(=C2)O)O)O |
| InChI | InChI=1S/C29H40O6/c1-35-27-21-26(32)28(33)25(29(27)34)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22-18-23(30)20-24(31)19-22/h2-3,18-21,30-31,33H,4-17H2,1H3/b3-2- |
| InChI Key | UAVAYCHSCHCWEM-IHWYPQMZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H40O6 |
| Molecular Weight | 484.60 g/mol |
| Exact Mass | 484.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 8.20 |
| SCHEMBL9578740 |
| 3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-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 | 97.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.40% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.16% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.51% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.94% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.85% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.77% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.97% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.73% | 85.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.17% | 98.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.87% | 83.57% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.43% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.94% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.67% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
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.
| Ardisia sieboldii |
| PubChem | 10323081 |
| LOTUS | LTS0083138 |
| wikiData | Q105269099 |