(2R,3S,4Z,7S,8E,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-4,8,11,14,17,20-hexaene-3,7,28-triol
| Internal ID | a432a660-4bab-4866-9d6e-a61a71314030 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols |
| IUPAC Name | (2R,3S,4Z,7S,8E,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-4,8,11,14,17,20-hexaene-3,7,28-triol |
| SMILES (Canonical) | CC(C(CCCCCCC=CCC=CCC=CCC=CCC=CC(CC=CC(C(C)N)O)O)O)N |
| SMILES (Isomeric) | C[C@H]([C@H](CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@H](C/C=C\[C@@H]([C@@H](C)N)O)O)O)N |
| InChI | InChI=1S/C30H52N2O3/c1-26(31)29(34)24-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22-28(33)23-21-25-30(35)27(2)32/h3-4,7-10,13,15,19,21-22,25-30,33-35H,5-6,11-12,14,16-18,20,23-24,31-32H2,1-2H3/b4-3-,9-7-,10-8-,15-13-,22-19+,25-21-/t26-,27-,28-,29+,30+/m1/s1 |
| InChI Key | CERUMKGEJQXNCI-VNTPILRTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52N2O3 |
| Molecular Weight | 488.70 g/mol |
| Exact Mass | 488.39779352 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.98% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.75% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.19% | 98.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.55% | 93.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.44% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.22% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.24% | 100.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.63% | 95.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.57% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.54% | 92.86% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.48% | 87.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.71% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.23% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.07% | 83.82% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 82.06% | 90.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.06% | 96.47% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.68% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.85% | 85.94% |
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 | 163103655 |
| LOTUS | LTS0213291 |
| wikiData | Q105102378 |