2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00103 |
| Mol. Weight | 130.231 g/mol |
| LogP | 2.84 |
| Water solubility | 0.0123 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 5 |
| XLogP3 | 2.8 |
| Identifiers | |
|---|---|
| Formula | C8H18O |
| PubChem CID | 11527 |
| FEMA | 3581 |
| Flavor Profile | Citrus, Moss, Mushroom, Nut, Oil |
| Smiles | CCCCCC(O)CC |
| InChl Key | NMRPBPVERJPACX-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 |
| CAS Registry Number | 589-98-0, 29063-28-3, 20296-29-1,22658-92-0 |
| IUPAC Systematic Name | octan-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 |
|---|---|---|---|---|---|
| Divaricate Saposhnikovia | Fang Feng (防风) | Saposhnikoviae Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Fineleaf Schizonepeta | Jing Jie (荆芥) | Schizonepetae Herba | Minor Warm, Pungent | Lung, Liver | View Graph |
| Haichow Elsholtzia | Xiang Ru (香薷) | Moslae Herba | Minor Warm,Pungent | Lung, Spleen, Stomach | View Graph |
| Wild Mint | Bo He (薄荷) | Menthae Haplocalycis Herba | Cool, Pungent | Liver, Lung | View Graph |
3-Octanol is one of alcohols with the formula C8H17OH, usually used as odorant.
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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