2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00049 |
| Mol. Weight | 114.188 g/mol |
| LogP | 2.14 |
| Water solubility | In water, 4280 mg/L at 25 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 4 |
| XLogP3 | 2.0 |
| Identifiers | |
|---|---|
| Formula | C7H14O |
| PubChem CID | 8051 |
| FEMA | 2544 |
| Flavor Profile | Blue Cheese, Fruit, Green, Nut, Spice, Penetrating Fruity Odor, Characteristic Banana, Slightly Spicy Odor, Banana-Like Fruity Odor, Pear-Like Flavor |
| Smiles | CCCCCC(C)=O |
| InChl Key | CATSNJVOTSVZJV-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| CAS Registry Number | 110-43-0, 29299-43-2 |
| IUPAC Systematic Name | heptan-2-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 |
|---|---|---|---|---|---|
| Clove Tree | Ding Xiang (丁香) | Caryophylli Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Medicinal Indianmulberry | Ba Ji Tian(巴戟天) | Morindae Officinalis Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Medicinal Indianmulberry | Ba Ji Tian(巴戟天) | Morindae Officinalis Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
2-Heptanone, also known as methyl n-amyl ketone, or Heptan-2-one, is a ketone with the molecular formula C7H14O. It is a colorless, water-like liquid with a banana-like, fruity odor. 2-Heptanone has a neutral formal charge, and is only slightly soluble in water
2-Heptanone is present in the urine of stressed rats and believe that it is used as a means to alert other rats. Though it was historically believed to be an alarm pheromone, 2-heptanone has been shown to act as an anaesthetic on the pests, enabling the honey bee to stun the pest and eject it from the hive. The work could lead to the use of 2-heptanone as an alternative local anaesthetic to lidocaine, which although well established for clinical use, has the disadvantage of provoking allergic reactions in some people.[12]
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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10. Dewan A, Pacifico R, Zhan R, et al. Non-redundant coding of aversive odours in the main olfactory pathway[J]. Nature, 2013, 497(7450): 486.
11. https://en.wikipedia.org/wiki/2-Heptanone