2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00104 |
| Mol. Weight | 102.177 g/mol |
| LogP | 1.65 |
| Water solubility | 16.1 mg/mL at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3 | 1.7 |
| Identifiers | |
|---|---|
| Formula | C6H14O |
| PubChem CID | 12178 |
| FEMA | 3351 |
| Flavor Profile | Solvent, Spice, Wine |
| Smiles | CCCC(O)CC |
| InChl Key | ZOCHHNOQQHDWHG-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3 |
| CAS Registry Number | 623-37-0 |
| IUPAC Systematic Name | hexan-3-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 |
|---|---|---|---|---|---|
| Safflower | Hong Hua (红花) | Carthami Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
3-Hexanol (IUPAC name: hexan-3-ol; also called ethyl propyl carbinol) is an organic chemical compound. It occurs naturally in the flavor and aroma of plants such as pineapple and is used as a food additive to add flavor.
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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