2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(8-tridecenyl)-, (Z)-
| Internal ID | 20dd6959-ee4d-4d24-affb-8ae7e51016da |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2-hydroxy-3-[(E)-9-methoxytridec-10-en-6-yl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCCC(CCC(C=CCC)OC)C1=C(C(=O)C=CC1=O)O |
| SMILES (Isomeric) | CCCCCC(CCC(/C=C/CC)OC)C1=C(C(=O)C=CC1=O)O |
| InChI | InChI=1S/C20H30O4/c1-4-6-8-9-15(11-12-16(24-3)10-7-5-2)19-17(21)13-14-18(22)20(19)23/h7,10,13-16,23H,4-6,8-9,11-12H2,1-3H3/b10-7+ |
| InChI Key | TYEYBRGUMMKRGI-JXMROGBWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.60 |
| 97987-90-1 |
| 2-hydroxy-3-[(E)-9-methoxytridec-10-en-6-yl]cyclohexa-2,5-diene-1,4-dione |
| Ardisianone B |
| 5-Hydroxy-2-methoxy-6-((Z)-8'-tridecenyl)-1,4-benzoquinone |
| 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 | 97.80% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.23% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.78% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.53% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.54% | 93.31% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.72% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.82% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.60% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.60% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.50% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.16% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.20% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.71% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.58% | 92.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.00% | 91.81% |
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 japonica |
| PubChem | 6443650 |
| LOTUS | LTS0117118 |
| wikiData | Q105267277 |