2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00077 |
| Mol. Weight | 192.302 g/mol |
| LogP | 3.28 |
| Water solubility | 0.000537 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 2.9 |
| Identifiers | |
|---|---|
| Formula | C13H20O |
| PubChem CID | 638014 |
| FEMA | 2595 |
| Flavor Profile | Floral, Violet; Warm Woody, Dry, And Fruity Odor, Odor Reminiscent Of Cedar Wood; Violet-Like Upon Dilution, Woody, Berry, Floral, Green And Fruity |
| Smiles | CC(=O)/C=C/C1=C(C)CCCC1(C)C |
| InChl Key | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| InChl | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ |
| CAS Registry Number | 14901-07-6, 79-77-6, 85949-43-5 |
| IUPAC Systematic Name | (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-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 |
|---|---|---|---|---|---|
| Centipeda minima | E Bu Shi Cao(鹅不食草) | Small Centipeda | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Chinese Nardostachys Equivalent plant: Nardostachy | Gan Song(甘松) | Nardostachyos Radix Et Rhizoma | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Safflower | Hong Hua (红花) | Carthami Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | 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 |
| Common Aucklandia (Costustoot) | Mu Xiang(木香) | Aucklandiae Radix | Warm, Bitter, Pungent | Spleen, Large Intestine, Stomach, Gallbladder, Three End | View Graph |
| Villous Amomum Equivalent plant: Amomum xanthioide | Sha Ren (砂仁) | Amomi Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Haichow Elsholtzia | Xiang Ru (香薷) | Moslae Herba | Minor Warm,Pungent | Lung, Spleen, Stomach | View Graph |
Beta-Ionone (4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one is a cyclic terpenoid compound that forms the basic nucleus structure of retinoic acid, retinol, b-carotene and vitamin A.
The ionones are a series of closely related chemical substances that are part of a group of compounds known as rose ketones, which also includes damascones and damascenones. Ionones are aroma compounds found in a variety of essential oils, including rose oil. Beta-Ionone is a significant contributor to the aroma of roses, despite its relatively low concentration, and is an important fragrance chemical used in perfumery. The ionones are derived from the degradation of carotenoids.
The combination of -ionone and Beta-ionone is characteristic of the scent of violets and used with other components in perfumery and flavouring to recreate their scent.
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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