2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00124 |
| Mol. Weight | 128.215 g/mol |
| LogP | 2.84 |
| Water solubility | 2600 mg/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 5 |
| XLogP3-AA | 2.3 |
| Identifiers | |
|---|---|
| Formula | C8H16O |
| PubChem CID | 246728 |
| FEMA | 2803 |
| Flavor Profile | Mild Fruity Odor; Butter, Herb, Mold |
| Smiles | CCCCCC(=O)CC |
| InChl Key | RHLVCLIPMVJYKS-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 |
| CAS Registry Number | 106-68-3, 541-85-5, 106-68-3 |
| IUPAC Systematic Name | octan-3-one |
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 |
| Fineleaf Schizonepeta | Jing Jie (荆芥) | Schizonepetae Herba | Minor Warm, Pungent | Lung, Liver | View Graph |
| Herba Schizonepetae | Jing Jie Sui (荆芥穗) | Schizonepetae Spica | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
| Haichow Elsholtzia | Xiang Ru (香薷) | Moslae Herba | Minor Warm,Pungent | Lung, Spleen, Stomach | View Graph |
3-Octanone is a natural ketone found in a variety of sources such as plants (such as lavender), herbs (such as rosemary),and fruits (such as nectarine).
It is used as a flavor and fragrance ingredient,Perfumery, and solvent for nitrocellulose and vinyl resins. It is used as a flavor and fragrance ingredient.
3-Octanone is a natural ketone found in a variety of sources such as plants (such as lavender), herbs (such as rosemary), and fruits (such as nectarine).
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. https://en.wikipedia.org/wiki/3-Octanone
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