1-amino-3-[[(3Z,19Z)-22-[(3-amino-2-hydroxypropyl)amino]docosa-3,19-dienyl]amino]propan-2-ol
| Internal ID | ae2cdf91-2997-4a64-8655-67e90550b5f5 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols |
| IUPAC Name | 1-amino-3-[[(3Z,19Z)-22-[(3-amino-2-hydroxypropyl)amino]docosa-3,19-dienyl]amino]propan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H58N4O2/c29-23-27(33)25-31-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-32-26-28(34)24-30/h15-18,27-28,31-34H,1-14,19-26,29-30H2/b17-15-,18-16- |
| InChI Key | JJQSBYXMZPCUGK-IQRFGFHNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H58N4O2 |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.45597711 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 1-amino-3-[[(3Z,19Z)-22-[(3-amino-2-hydroxypropyl)amino]docosa-3,19-dienyl]amino]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1-amino-3-3z19z-22-3-amino-2-hydroxypropylaminodocosa-319-dienylaminopropan-2-ol.jpg "2D Structure of 1-amino-3-[[(3Z,19Z)-22-[(3-amino-2-hydroxypropyl)amino]docosa-3,19-dienyl]amino]propan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.25% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.13% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.79% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.22% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.23% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.17% | 98.95% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.69% | 94.01% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.70% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.39% | 96.95% |
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.
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| There are no matching plants. |
| PubChem | 10719612 |
| LOTUS | LTS0113996 |
| wikiData | Q105129838 |