(13-Amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl) 3-phenylprop-2-enoate
| Internal ID | ee90ed8c-b8eb-4f64-b750-6d4663a0954f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | (13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CCCC(C)C(C(C)C(CC=CC=CC(=O)N)O)OC(=O)C=CC1=CC=CC=C1 |
| SMILES (Isomeric) | CCCC(C)C(C(C)C(CC=CC=CC(=O)N)O)OC(=O)C=CC1=CC=CC=C1 |
| InChI | InChI=1S/C24H33NO4/c1-4-11-18(2)24(19(3)21(26)14-9-6-10-15-22(25)27)29-23(28)17-16-20-12-7-5-8-13-20/h5-10,12-13,15-19,21,24,26H,4,11,14H2,1-3H3,(H2,25,27) |
| InChI Key | OJAGQZQYWOJBHT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H33NO4 |
| Molecular Weight | 399.50 g/mol |
| Exact Mass | 399.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 89.60 Ų |
| XlogP | 4.90 |
| 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 | 97.78% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.71% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.39% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.02% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.70% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.27% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.84% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.36% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.21% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.21% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.57% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.89% | 94.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.69% | 96.47% |
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 | 467832 |
| LOTUS | LTS0043506 |
| wikiData | Q105192952 |