(Z)-N-[(2S)-2-methylbutyl]dodec-2-en-8,10-diynamide
| Internal ID | 8ed7fd65-f79f-4c57-a292-e108d5444692 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | (Z)-N-[(2S)-2-methylbutyl]dodec-2-en-8,10-diynamide |
| SMILES (Canonical) | CCC(C)CNC(=O)C=CCCCCC#CC#CC |
| SMILES (Isomeric) | CC[C@H](C)CNC(=O)/C=C\CCCCC#CC#CC |
| InChI | InChI=1S/C17H25NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,5,9-12,15H2,1-3H3,(H,18,19)/b14-13-/t16-/m0/s1 |
| InChI Key | HTEAEKZTQDWCBO-FIPLFPIMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H25NO |
| Molecular Weight | 259.40 g/mol |
| Exact Mass | 259.193614421 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (Z)-N-[(2S)-2-methylbutyl]dodec-2-en-8,10-diynamide](https://plantaedb.com/storage/docs/compounds/2023/11/z-n-2s-2-methylbutyldodec-2-en-810-diynamide.jpg "2D Structure of (Z)-N-[(2S)-2-methylbutyl]dodec-2-en-8,10-diynamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.36% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.88% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.60% | 90.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.99% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.72% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.48% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.67% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.33% | 96.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.02% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.42% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.28% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.68% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.89% | 94.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.37% | 92.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.21% | 98.75% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.23% | 93.67% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.18% | 97.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.13% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.63% | 100.00% |
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.
| Echinacea angustifolia |
| PubChem | 162882059 |
| LOTUS | LTS0259499 |
| wikiData | Q105033390 |