2-(1H-indol-3-yl)ethyl octadeca-9,12-dienoate
| Internal ID | 1e3fd32d-2a54-4d63-ba03-fcb92fa74dfc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | 2-(1H-indol-3-yl)ethyl octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)OCCC1=CNC2=CC=CC=C21 |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)OCCC1=CNC2=CC=CC=C21 |
| InChI | InChI=1S/C28H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(30)31-23-22-25-24-29-27-20-18-17-19-26(25)27/h6-7,9-10,17-20,24,29H,2-5,8,11-16,21-23H2,1H3 |
| InChI Key | IFIHQODEQMQNRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H41NO2 |
| Molecular Weight | 423.60 g/mol |
| Exact Mass | 423.313729551 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 9.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.59% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.38% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.33% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.98% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.74% | 94.62% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 94.38% | 91.81% |
| CHEMBL240 | Q12809 | HERG | 93.91% | 89.76% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.48% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.06% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.76% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.84% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.78% | 97.79% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.29% | 87.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.07% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.50% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.15% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.02% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.54% | 94.73% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.18% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.15% | 90.08% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.99% | 89.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.13% | 97.64% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.85% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.70% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 162934898 |
| LOTUS | LTS0183363 |
| wikiData | Q105112189 |