methyl 3-acetamido-4-(3,7-dimethylocta-2,6-dienyl)-1H-pyrrole-2-carboxylate
| Internal ID | 10cdf6de-6646-470e-a769-f8fc6d369892 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | methyl 3-acetamido-4-(3,7-dimethylocta-2,6-dienyl)-1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26N2O3/c1-12(2)7-6-8-13(3)9-10-15-11-19-17(18(22)23-5)16(15)20-14(4)21/h7,9,11,19H,6,8,10H2,1-5H3,(H,20,21) |
| InChI Key | OWZMKODIYAUWSL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H26N2O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 71.20 Ų |
| XlogP | 4.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.24% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.20% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.77% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.87% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.99% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.65% | 94.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.81% | 90.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.57% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.51% | 97.21% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.19% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.42% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.70% | 90.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.27% | 96.90% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.52% | 95.50% |
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 | 162815840 |
| LOTUS | LTS0026560 |
| wikiData | Q104193917 |