1-(2,3,6-Trimethoxy-7-pentadecyldibenzofuran-4-yl)pentadecan-8-ol
| Internal ID | 5b1a2b98-d534-430a-b0cd-99a361dc2d4a |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Dibenzofurans |
| IUPAC Name | 1-(2,3,6-trimethoxy-7-pentadecyldibenzofuran-4-yl)pentadecan-8-ol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC1=C(C2=C(C=C1)C3=CC(=C(C(=C3O2)CCCCCCCC(CCCCCCC)O)OC)OC)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC1=C(C2=C(C=C1)C3=CC(=C(C(=C3O2)CCCCCCCC(CCCCCCC)O)OC)OC)OC |
| InChI | InChI=1S/C45H74O5/c1-6-8-10-12-13-14-15-16-17-18-19-22-25-29-36-33-34-38-40-35-41(47-3)44(49-5)39(43(40)50-45(38)42(36)48-4)32-28-24-20-23-27-31-37(46)30-26-21-11-9-7-2/h33-35,37,46H,6-32H2,1-5H3 |
| InChI Key | IVGGBDNJNGSPNR-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 | 97.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.95% | 92.08% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.41% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.37% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.61% | 93.31% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.36% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.26% | 94.45% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 91.11% | 95.39% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.90% | 95.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.82% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.22% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.68% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.54% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.31% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.07% | 89.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.02% | 95.34% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.47% | 85.94% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.36% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.82% | 100.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.77% | 94.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.62% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.32% | 98.75% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.17% | 93.18% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.83% | 92.68% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.30% | 83.82% |
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 | 163068848 |
| LOTUS | LTS0006971 |
| wikiData | Q105121036 |