2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00093 |
| Mol. Weight | 242.447 g/mol |
| LogP | 6.14 |
| Water solubility | 0.041 mg/L at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 14 |
| XLogP3-AA | 7.3 |
| Identifiers | |
|---|---|
| Formula | C16H34O |
| PubChem CID | 2682 |
| FEMA | 2554 |
| Flavor Profile | Faint Odor, Odorless, Bland, Mild Taste; Flower, Wax |
| Smiles | CCCCCCCCCCCCCCCCO |
| InChl Key | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
| InChl | InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 |
| CAS Registry Number | 29354-98-1, 36653-82-4, 67762-30-5 |
| IUPAC Systematic Name | hexadecan-1-ol |
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 |
|---|---|---|---|---|---|
| Dahurian Angelica | Bai Zhi(白芷) | Angelicae Dahuricae Radix | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
| Doubleteeth Pubescent Angelica Equivalent plant: H | Du Huo (独活) | Angelicae Pubescentis Radix | Warm, Pungent, Bitter | Spleen, Liver | View Graph |
| Incised Notopterygium Equivalent plant: Notoptery | Qiang Huo(羌活) | Notopterygii Rhizoma Et Radix | Warm, Bitter, Pungent | Spleen, Large Intestine, Stomach, Gallbladder, Three End | View Graph |
1-Hexadecanol is a fatty alcohol with the formula CH3(CH2)15OH.It is used in the cosmetic industry as an opacifier in shampoos, or as an emollient,emulsifier or thickening agent in the manufacture of skin creams and lotions. It is also employed as a lubricant for nuts and bolts, and is the active ingredient in some "liquid pool covers". 1-Hexadecanol is sometimes included in medications used for the treatment of eczema.
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. Pijls K E, Smolinska A, Jonkers D M A E,Dallinga, J. W., Masclee, A. A., Koek, G. H.,van Schooten, F. J. A profile of volatile organic compounds in exhaled air as a potential non-invasive biomarker for liver cirrhosis[J]. Scientific reports, 2016, 6: 19903.
2. Ji Y, Liu C, PEI Y. Artificial pulmonary surfactant as a carrier for intratracheally instilled insulin 1[J]. Acta pharmacologica sinica, 2007, 28(5): 744-750.
3. Wang Z, Ye W, Luo X, Wang, Z. Fabrication of Superhydrophobic and Luminescent Rare Earth/Polymer complex Films[J]. Scientific reports, 2016, 6: 24682.
4. Meng L, Li H, Bao M,Sun, P. Metabolic pathway for a new strain Pseudomonas synxantha LSH-7: from chemotaxis to uptake of n-hexadecane[J]. Scientific reports, 2017, 7: 39068.
5. Cane D E. Nature as organic chemist[J]. 2016.
6. Niu J, Wang D, Qin H,Xiong, X., Tan, P., Li, Y.,Ni, W. Novel polymer-free iridescent lamellar hydrogel for two-dimensional confined growth of ultrathin gold membranes[J]. Nature communications, 2014, 5: 3313.
7. Sheng J, Stevens J, Feng X. Pathway compartmentalization in peroxisome of Saccharomyces cerevisiae to produce versatile medium chain fatty alcohols. Sci Rep 6 (26884)[J]. 2016.
8. Susan C. Handbook of Food, Drug, and Cosmetic Excipients[J]. American Journal of Clinical Nutrition, 1992, 73(1): 41-44.
9. https://en.wikipedia.org/wiki/Cetyl_alcohol
10. Kato N, Numata T, Kanzaki T. Contact dermatitis due to Japanese pharmacopeia cetyl alcohol[J]. Skin Research, 1987, 29(suppl 3): 258-262.