2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00200 |
| Mol. Weight | 102.177 g/mol |
| LogP | None |
| Water solubility | 0.105 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 1.6 |
| Identifiers | |
|---|---|
| Formula | C6H14O |
| PubChem CID | 12296 |
| FEMA | - |
| Flavor Profile | None |
| Smiles | CC(C)CCCO |
| InChl Key | PCWGTDULNUVNBN-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 |
| CAS Registry Number | 1320-98-5, 626-89-1, 68526-79-4 |
| IUPAC Systematic Name | 4-methylpentan-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 |
|---|---|---|---|---|---|
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | 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 |
4-Methyl-1-pentanol (IUPAC name: 4-methylpentan-1-ol; also called isohexyl alcohol) is an organic chemical compound. It is found in longan fruit.
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. International Flavor Conference, Contis E T. Food flavors: formation, analysis, and packaging influences: proceedings of the 9th International Flavor Conference, the George Charalambous Memorial Symposium, Limnos, Greece, 1-4 July 1997[M]. Elsevier, 1998.