1-amino-3-[[(3Z,6Z,18Z,21Z)-24-[(3-amino-2-hydroxypropyl)amino]tetracosa-3,6,18,21-tetraenyl]amino]propan-2-ol
| Internal ID | 73383eb1-b76a-4947-9b24-fa6547c494a1 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols |
| IUPAC Name | 1-amino-3-[[(3Z,6Z,18Z,21Z)-24-[(3-amino-2-hydroxypropyl)amino]tetracosa-3,6,18,21-tetraenyl]amino]propan-2-ol |
| SMILES (Canonical) | C(CCCCCC=CCC=CCCNCC(CN)O)CCCCC=CCC=CCCNCC(CN)O |
| SMILES (Isomeric) | C(CCCC/C=C\C/C=C\CCNCC(O)CN)CCCCC/C=C\C/C=C\CCNCC(O)CN |
| InChI | InChI=1S/C30H58N4O2/c31-25-29(35)27-33-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-34-28-30(36)26-32/h11-14,17-20,29-30,33-36H,1-10,15-16,21-28,31-32H2/b13-11-,14-12-,19-17-,20-18- |
| InChI Key | NZTPQMKYBVRJHU-MAZCIEHSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H58N4O2 |
| Molecular Weight | 506.80 g/mol |
| Exact Mass | 506.45597711 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 1-amino-3-[[(3Z,6Z,18Z,21Z)-24-[(3-amino-2-hydroxypropyl)amino]tetracosa-3,6,18,21-tetraenyl]amino]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0a8fd080-85aa-11ee-ad70-01d0c3b2c81d.jpg "2D Structure of 1-amino-3-[[(3Z,6Z,18Z,21Z)-24-[(3-amino-2-hydroxypropyl)amino]tetracosa-3,6,18,21-tetraenyl]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.05% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.38% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.75% | 97.29% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.57% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.38% | 98.95% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.70% | 93.04% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.02% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10720382 |
| LOTUS | LTS0220698 |
| wikiData | Q105188434 |