1-(2,3-Dimethoxy-4-pentadecylphenyl)-2,3-dimethoxy-4-pentadecylbenzene
| Internal ID | 3afacb77-a64c-4fac-bcac-05836f8762cd |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 1-(2,3-dimethoxy-4-pentadecylphenyl)-2,3-dimethoxy-4-pentadecylbenzene |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C2=C(C(=C(C=C2)CCCCCCCCCCCCCCC)OC)OC)OC)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C2=C(C(=C(C=C2)CCCCCCCCCCCCCCC)OC)OC)OC)OC |
| InChI | InChI=1S/C46H78O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-35-37-41(45(49-5)43(39)47-3)42-38-36-40(44(48-4)46(42)50-6)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h35-38H,7-34H2,1-6H3 |
| InChI Key | JRVLQXDFOSAQQQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H78O4 |
| Molecular Weight | 695.10 g/mol |
| Exact Mass | 694.59001097 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 19.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.43% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.03% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.27% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.27% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.78% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.71% | 97.79% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.71% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.18% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.85% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.77% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.21% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.58% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.30% | 89.63% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.53% | 89.62% |
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 | 86127214 |
| LOTUS | LTS0199645 |
| wikiData | Q105134123 |