2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00118 |
| Mol. Weight | 126.199 g/mol |
| LogP | 2.02 |
| Water solubility | 0.0282 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3 | 1.9 |
| Identifiers | |
|---|---|
| Formula | C8H14O |
| PubChem CID | 9862 |
| FEMA | 2707 |
| Flavor Profile | Powerful, Fatty, Green, Citrus Odor， Fruity Taste; Citrus, Mushroom, Pepper, Rubber, Strawberry |
| Smiles | CC(=O)CCC=C(C)C |
| InChl Key | UHEPJGULSIKKTP-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
| CAS Registry Number | 110-93-0，409-02-9 |
| IUPAC Systematic Name | 6-methylhept-5-en-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 |
|---|---|---|---|---|---|
| Styrax benzoin | An Xi Xiang(安息香) | Sumatra Snowbell Equivalent plant: Styrax tonkinen | Mild,Pungent,Bitter | Spleen,Heart | View Graph |
| Medicinal Indianmulberry | Ba Ji Tian(巴戟天) | Morindae Officinalis Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Piper cubeba | Bi Cheng Qie(荜澄茄) | Cubeba Pepper | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Common Ginger Dried Rhizome | Gan Jiang (干姜) | Zingiberis Rhizoma | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Lesser Galangal | Gao Liang Jiang (高良姜) | Alpiniae Officinarum Rhizoma | Hot,Pungent | Large Intestine, Stomach | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
| Cassiabarktree | Rou Gui (肉桂) | Cinnamomi Cortex | Hot, Sweet, Pungent | Liver, Heart, Spleen, Kidney | View Graph |
| Bugbane Equivalent plant: Cimicifuga dahurica, Ci | Sheng Ma(升麻) | Cimicifugae Rhizoma | Cold, Sweet, Pungent | Lung, Spleen, Large Intestine, Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Lily Magnolia Buds Equivalent plant: Magnolia lili | Xin Yi (辛夷) | Magnoliae Flos | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
6-Methyl-5-hepten-2-one is used as artificial flavouring, and could be taken up with food. 6-Methyl-5-hepten-2-one is an endogenous germination stimulators of uredospores of Puccinia graminis var. tritici. 6-Methyl-5-hepten-2-one is a known insect defence semiochemical that acts as an alarm pheromone in ants. 6-Methyl-5-hepten-2-one can infuence mosquito behaviour. 6-Methyl-5-hepten-2-one can elicit antennal responses.
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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