5-(3,4-Dimethoxy-5-pentadecylphenyl)-1-heptadecyl-2,3-dimethoxybenzene
| Internal ID | 311651c9-1bce-49be-ab32-b91b8f2706e7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 5-(3,4-dimethoxy-5-pentadecylphenyl)-1-heptadecyl-2,3-dimethoxybenzene |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)OC)OC)CCCCCCCCCCCCCCC)OC)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)OC)OC)CCCCCCCCCCCCCCC)OC)OC |
| InChI | InChI=1S/C48H82O4/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-42-38-44(40-46(50-4)48(42)52-6)43-37-41(47(51-5)45(39-43)49-3)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2/h37-40H,7-36H2,1-6H3 |
| InChI Key | KUKHRLXDMGWJOI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H82O4 |
| Molecular Weight | 723.20 g/mol |
| Exact Mass | 722.62131109 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 20.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.05% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 95.00% | 93.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.43% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.18% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.17% | 86.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.85% | 92.68% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.80% | 87.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.02% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.85% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.64% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.02% | 92.62% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.52% | 90.24% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.72% | 91.81% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.34% | 94.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.07% | 96.95% |
| CHEMBL240 | Q12809 | HERG | 80.31% | 89.76% |
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.
| Toxicodendron vernicifluum |
| PubChem | 86127224 |
| LOTUS | LTS0056197 |
| wikiData | Q105146194 |