Neoherculin
| Internal ID | 4f57bdea-f13a-4003-98ce-95fb3d25f17d |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | (2E,6Z,8E,10Z)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide |
| SMILES (Canonical) | CC=CC=CC=CCCC=CC(=O)NCC(C)C |
| SMILES (Isomeric) | C/C=C\C=C\C=C/CC/C=C/C(=O)NCC(C)C |
| InChI | InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+ |
| InChI Key | SBXYHCVXUCYYJT-JRNWQWJGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H25NO |
| Molecular Weight | 247.38 g/mol |
| Exact Mass | 247.193614421 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.20 |
| Echinacein |
| a-Sanshool |
| (E,E,Z,E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamide |
| CHEBI:173761 |
| N-Isobutyl-2,6,8,10-dodecatetraenamide |
| (2E,6Z,8E,10Z)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.57% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.18% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.57% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.02% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.86% | 95.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.61% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.43% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.36% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.44% | 95.93% |
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.
| Zanthoxylum clava-herculis |
| PubChem | 131751109 |
| LOTUS | LTS0101555 |
| wikiData | Q105249776 |