[22-(1-Hydroxypropan-2-ylamino)-7,17,21-trimethyl-22-oxodocosa-1,18,20-trien-8-yl] carbamate
| Internal ID | 3dfb692e-e9c7-45ff-bac3-bb8ff8028637 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | [22-(1-hydroxypropan-2-ylamino)-7,17,21-trimethyl-22-oxodocosa-1,18,20-trien-8-yl] carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H52N2O4/c1-6-7-8-14-19-24(3)27(35-29(30)34)21-15-12-10-9-11-13-17-23(2)18-16-20-25(4)28(33)31-26(5)22-32/h6,16,18,20,23-24,26-27,32H,1,7-15,17,19,21-22H2,2-5H3,(H2,30,34)(H,31,33) |
| InChI Key | MQZZDNJDULBWLQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H52N2O4 |
| Molecular Weight | 492.70 g/mol |
| Exact Mass | 492.39270814 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of [22-(1-Hydroxypropan-2-ylamino)-7,17,21-trimethyl-22-oxodocosa-1,18,20-trien-8-yl] carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/22-1-hydroxypropan-2-ylamino-71721-trimethyl-22-oxodocosa-11820-trien-8-yl-carbamate.jpg "2D Structure of [22-(1-Hydroxypropan-2-ylamino)-7,17,21-trimethyl-22-oxodocosa-1,18,20-trien-8-yl] carbamate")
| 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 | 96.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.83% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.04% | 89.34% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 94.40% | 95.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.60% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.55% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.02% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.37% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.13% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.57% | 97.47% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.24% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.85% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.78% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.66% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.10% | 92.88% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.80% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.78% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.61% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.59% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.53% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.22% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.10% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.83% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.80% | 94.73% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 80.75% | 98.57% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162904218 |
| LOTUS | LTS0178060 |
| wikiData | Q104171990 |