2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00168 |
| Mol. Weight | 86.134 g/mol |
| LogP | None |
| Water solubility | 0.631 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 1.1 |
| Identifiers | |
|---|---|
| Formula | C5H10O |
| PubChem CID | 6994331 |
| FEMA | - |
| Flavor Profile | None |
| Smiles | CCC(C=C)O |
| InChl Key | VHVMXWZXFBOANQ-YFKPBYRVSA-N |
| InChl | InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m0/s1 |
| CAS Registry Number | 616-25-1 |
| IUPAC Systematic Name | (3R)-pent-1-en-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 | Liver, Heart | View Graph |
(3R)-Pent-1-En-3-Ol,colorless to light yellow liquid with fruity aroma.Soluble in water.Natural products are found in oranges, strawberries, tomatoes, etc.It is flammable and irritating to the respiratory system.
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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14. http://product.chemmade.com/detail-1-%E6%88%8A%E7%83%AF-3-%E9%86%87.html
15. https://www.chemicalbook.com/ProductChemicalPropertiesCB3335017.htm