2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00162 |
| Mol. Weight | 98.145 g/mol |
| LogP | None |
| Water solubility | 0.0851 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3 | 1.4 |
| Identifiers | |
|---|---|
| Formula | C6H10O |
| PubChem CID | 5319754 |
| FEMA | 3194 |
| Flavor Profile | Fruit |
| Smiles | CCC=C(C)C=O |
| InChl Key | IDEYZABHVQLHAF-GQCTYLIASA-N |
| InChl | InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+ |
| CAS Registry Number | 623-36-9, 14250-96-5 |
| IUPAC Systematic Name | (E)-2-methylpent-2-enal |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| Evodia rutaecarpa | Wu Zhu Yu(吴茱萸) | Medicinal Evodia Equivalent plant: Evodia rutaecar | Pungent, bitter, hot | Liver, spleen,stomach | View Graph |
| Allium macrostemon | Xie Bai(薤白) | Longstamen Onion Equivalent plant: Allium chinense | Warm,Pungent,Bitter | Lung,Spleen,Liver | View Graph |
2-methyl-2-pentenaldehyde is an important intermediate in the synthesis of strawberry acid (2-methyl-2-pentenoic acid), and 2-methyl-2-pentenoic acid is a kind of edible spice with sweet berry-like fruit aroma and fragrance, and it has the characteristics of strawberry fragrance, so it can be used in all kinds of food that need strawberry flavor.
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
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