2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00081 |
| Mol. Weight | 154.253 g/mol |
| LogP | 3.43 |
| Water solubility | 0.000135 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 7 |
| XLogP3-AA | 3.7 |
| Identifiers | |
|---|---|
| Formula | C10H18O |
| PubChem CID | 5354834 |
| FEMA | 2366 |
| Flavor Profile | Fat, Fish, Orange |
| Smiles | CCCCCCC/C=C\C=O |
| InChl Key | MMFCJPPRCYDLLZ-HJWRWDBZSA-N |
| InChl | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8- |
| CAS Registry Number | 3913-71-1, 2497-25-8 |
| IUPAC Systematic Name | (Z)-dec-2-enal |
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 |
|---|---|---|---|---|---|
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | 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 |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Coriandrum sativum L | Yan Sui(芫荽) | Cilantro | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
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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3.Enzymatic hydroxylation of an unactivated methylene CCH bond guided by molecular dynamics simulations
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