N-[5-(3-amino-3-oxopropyl)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-7-methylocta-2,4-dienamide
| Internal ID | b9fda7f0-d2c6-44aa-a796-5d132bcb36fe |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | N-[5-(3-amino-3-oxopropyl)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-7-methylocta-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26N2O5/c1-11(2)6-4-3-5-7-14(22)20-12-10-18(24,9-8-13(19)21)17-16(25-17)15(12)23/h3-5,7,10-11,15-17,23-24H,6,8-9H2,1-2H3,(H2,19,21)(H,20,22) |
| InChI Key | IKNDMKXZPGKFQH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26N2O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of N-[5-(3-amino-3-oxopropyl)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-7-methylocta-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/5a51cdb0-85f2-11ee-8e4a-6198eb88ffe5.jpg "2D Structure of N-[5-(3-amino-3-oxopropyl)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-7-methylocta-2,4-dienamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.86% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.64% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.79% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.48% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.41% | 96.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.12% | 83.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.35% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.66% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.22% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.47% | 80.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.13% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.10% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.80% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.41% | 98.03% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.00% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162946388 |
| LOTUS | LTS0080864 |
| wikiData | Q104168880 |