3-(4-Hydroxyphenyl)-2-[(2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenoyl)amino]propanoic acid
| Internal ID | a3bc3a9e-1b4e-4073-aea5-726286fb7cf3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | 3-(4-hydroxyphenyl)-2-[(2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenoyl)amino]propanoic acid |
| SMILES (Canonical) | CC=C(C)C=C(C)C=CC=C(C)C=CC(=O)C(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O |
| SMILES (Isomeric) | CC=C(C)C=C(C)C=CC=C(C)C=CC(=O)C(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O |
| InChI | InChI=1S/C27H33NO5/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-25(30)21(5)26(31)28-24(27(32)33)17-22-11-13-23(29)14-12-22/h6-16,21,24,29H,17H2,1-5H3,(H,28,31)(H,32,33) |
| InChI Key | QYOOOQHFZSDPSQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33NO5 |
| Molecular Weight | 451.60 g/mol |
| Exact Mass | 451.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 3-(4-Hydroxyphenyl)-2-[(2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenoyl)amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/556292b0-8557-11ee-bb16-bdae58add855.jpg "2D Structure of 3-(4-Hydroxyphenyl)-2-[(2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenoyl)amino]propanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.09% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.59% | 83.82% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.41% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.07% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.89% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.40% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.38% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.13% | 90.20% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.94% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.90% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.05% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.17% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.51% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.05% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.96% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.67% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.27% | 93.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.51% | 95.89% |
| CHEMBL1944 | P08473 | Neprilysin | 82.93% | 92.63% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.78% | 97.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.83% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.82% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.38% | 96.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.58% | 85.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162814449 |
| LOTUS | LTS0084553 |
| wikiData | Q104196358 |