2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00169 |
| Mol. Weight | 84.118 g/mol |
| LogP | 0.53 |
| Water solubility | Solubility in water, g/100ml |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3-AA | 1.2 |
| Identifiers | |
|---|---|
| Formula | C5H8O |
| PubChem CID | 61020 |
| FEMA | 3646 |
| Flavor Profile | Almond, Roasted |
| Smiles | CC(C)=CC=O |
| InChl Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 |
| CAS Registry Number | 107-86-8 |
| IUPAC Systematic Name | 3-methylbut-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 |
|---|---|---|---|---|---|
| Dichroa febrifuga | Chang Shan(常山) | Antifebrile Dichroa | Cold,Pungent,Bitter | Lung,Liver,Heart | View Graph |
| Incised Notopterygium Equivalent plant: Notoptery | Qiang Huo(羌活) | Notopterygii Rhizoma Et Radix | Warm, Bitter, Pungent | Spleen, Large Intestine, Stomach, Gallbladder, Three End | View Graph |
3-Methyl-2-Butenal is attractant and oviposition stimulator
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.
1.Wootton L. Microbial ecology: Bacterial volatiles give the game away[J]. Nature Reviews Microbiology, 2011, 9(9): 632.