2-(4,6,8,10,14-Pentamethylpentadeca-2,4,10-trienoylamino)acetic acid
| Internal ID | c44a56a8-4f90-4fd1-8d16-3e6e66758c59 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-(4,6,8,10,14-pentamethylpentadeca-2,4,10-trienoylamino)acetic acid |
| SMILES (Canonical) | CC(C)CCC=C(C)CC(C)CC(C)C=C(C)C=CC(=O)NCC(=O)O |
| SMILES (Isomeric) | CC(C)CCC=C(C)CC(C)CC(C)C=C(C)C=CC(=O)NCC(=O)O |
| InChI | InChI=1S/C22H37NO3/c1-16(2)8-7-9-17(3)12-19(5)14-20(6)13-18(4)10-11-21(24)23-15-22(25)26/h9-11,13,16,19-20H,7-8,12,14-15H2,1-6H3,(H,23,24)(H,25,26) |
| InChI Key | IDHWXSORJXHAOU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H37NO3 |
| Molecular Weight | 363.50 g/mol |
| Exact Mass | 363.27734404 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.80% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.41% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.92% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.82% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.76% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.20% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.92% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.47% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.20% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.45% | 95.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.98% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.80% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.60% | 99.35% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.19% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.06% | 96.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.02% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.70% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.52% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.46% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.12% | 89.50% |
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 | 162962303 |
| LOTUS | LTS0194754 |
| wikiData | Q104168674 |