3-[3-(Octadeca-9,12-dienoylamino)propylamino]propanoic acid
| Internal ID | 6e9ee373-cc83-4fa7-9659-89553e9f3436 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | 3-[3-(octadeca-9,12-dienoylamino)propylamino]propanoic acid |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)NCCCNCCC(=O)O |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)NCCCNCCC(=O)O |
| InChI | InChI=1S/C24H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(27)26-21-17-20-25-22-19-24(28)29/h6-7,9-10,25H,2-5,8,11-22H2,1H3,(H,26,27)(H,28,29) |
| InChI Key | IAORULDJULCWPV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H44N2O3 |
| Molecular Weight | 408.60 g/mol |
| Exact Mass | 408.33519327 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 3-[3-(Octadeca-9,12-dienoylamino)propylamino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-octadeca-912-dienoylaminopropylaminopropanoic-acid.jpg "2D Structure of 3-[3-(Octadeca-9,12-dienoylamino)propylamino]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 | 98.91% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.86% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.26% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.84% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.27% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.03% | 96.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 93.26% | 97.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 91.89% | 86.67% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.61% | 97.29% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.15% | 95.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.03% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.80% | 91.11% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 82.74% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.68% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.56% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.09% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.84% | 89.34% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.78% | 94.01% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.27% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.15% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.06% | 91.81% |
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 | 75302581 |
| LOTUS | LTS0214054 |
| wikiData | Q104168570 |