1-(4,6,7-Trimethoxy-8-pentadecyldibenzofuran-3-yl)pentadecan-8-ol
| Internal ID | addd7655-1b13-4877-8db8-5a5cec99c793 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Dibenzofurans |
| IUPAC Name | 1-(4,6,7-trimethoxy-8-pentadecyldibenzofuran-3-yl)pentadecan-8-ol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC1=CC2=C(C(=C1OC)OC)OC3=C2C=CC(=C3OC)CCCCCCCC(CCCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC1=CC2=C(C(=C1OC)OC)OC3=C2C=CC(=C3OC)CCCCCCCC(CCCCCCC)O |
| InChI | InChI=1S/C45H74O5/c1-6-8-10-12-13-14-15-16-17-18-19-22-26-30-37-35-40-39-34-33-36(41(47-3)43(39)50-44(40)45(49-5)42(37)48-4)29-25-23-20-24-28-32-38(46)31-27-21-11-9-7-2/h33-35,38,46H,6-32H2,1-5H3 |
| InChI Key | JQKRCACZMZDHKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H74O5 |
| Molecular Weight | 695.10 g/mol |
| Exact Mass | 694.55362546 g/mol |
| Topological Polar Surface Area (TPSA) | 61.10 Ų |
| XlogP | 17.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.18% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.43% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.02% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.24% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.04% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.49% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.91% | 86.33% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 88.33% | 95.39% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.27% | 97.29% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.68% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.09% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.79% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.18% | 87.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.23% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.41% | 100.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.48% | 93.04% |
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 | 162981306 |
| LOTUS | LTS0108778 |
| wikiData | Q105133521 |