2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00080 |
| Mol. Weight | 194.318 g/mol |
| LogP | 3.28 |
| Water solubility | 0.000631 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 2.7 |
| Identifiers | |
|---|---|
| Formula | C13H22O |
| PubChem CID | 519382 |
| FEMA | 3626 |
| Flavor Profile | Floral |
| Smiles | CC1=C(C(CCC1)(C)C)CCC(=O)C |
| InChl Key | QJJDNZGPQDGNDX-UHFFFAOYSA-N |
| InChl | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3 |
| CAS Registry Number | 17283-81-7 |
| IUPAC Systematic Name | 4-(2,6,6-trimethylcyclohexen-1-yl)butan-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 |
|---|---|---|---|---|---|
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
Dihydro-Beta-ionone is the characteristic aroma compounds of O. fragrans. Dihydro-Beta-ionone, also called sweet osmanthus king, has received great attention from the flavour and fragrance industry. It is a main aroma compound with mellow, sweet, and fresh cedar scent in Osmanthus oil. Because of its unique scent, commercial extracts are in high demand for use in the production of expensive perfumes and cosmetics.
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. Baldermann, S., Kato, M., Kurosawa, M., Kurobayashi, Y., Fujita, A., Fleischmann, P., Watanabe, N. Functional characterization of a carotenoid cleavage dioxygenase 1 and its relation to the carotenoid accumulation and volatile emission during the floral development of Osmanthus fragrans Lour[J]. Journal of experimental botany, 2010, 61(11): 2967-2977.
2. Zhang, X., Liao, S., Cao, F., Zhao, L., Pei, J., Tang, F. Cloning and characterization of enoate reductase with high -ionone to dihydro--ionone bioconversion productivity[J]. BMC biotechnology, 2018, 18(1): 26.
3. Cceres, L. A., Lakshminarayan, S., Yeung, K. C., McGarvey, B. D., Hannoufa, A., Sumarah, M. W., Scott, I. M. Repellent and attractive effects of -, -, and dihydro--ionone to generalist and specialist herbivores[J]. Journal of chemical ecology, 2016, 42(2): 107-117.