2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00086 |
| Mol. Weight | 86.134 g/mol |
| LogP | 1.05 |
| Water solubility | 0.195 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 1.0 |
| Identifiers | |
|---|---|
| Formula | C5H10O |
| PubChem CID | 11552 |
| FEMA | 2692 |
| Flavor Profile | Apple-Like Odor, Powerful Penetrating, Acrid Odor; At Very Low Levels The Flavor Is Warm, Herbaceous, Slightly Fruit, And Nut-Like; Flavouring Agent: Flavouring_Agent |
| Smiles | CC(C)CC=O |
| InChl Key | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
| CAS Registry Number | 590-86-3 |
| IUPAC Systematic Name | 3-methylbutanal |
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 |
|---|---|---|---|---|---|
| Wild Mint | Bo He (薄荷) | Menthae Haplocalycis Herba | Cool, Pungent | Liver, Lung | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Common Ginger Dried Rhizome | Gan Jiang (干姜) | Zingiberis Rhizoma | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Great Burdock Fruit | Niu Bang Zi(牛蒡子) | Arctii Fructus | Cold, Bitter, Pungent | Bladder, Spleen, Liver，Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
NO DATA
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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4. https://en.wikipedia.org/wiki/Isovaleraldehyde