2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00095 |
| Mol. Weight | 108.14 g/mol |
| LogP | 2.18 |
| Water solubility | 0.234 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 0 |
| XLogP3 | 2.0 |
| Identifiers | |
|---|---|
| Formula | C7H8O |
| PubChem CID | 342 |
| FEMA | 3530 |
| Flavor Profile | Phenolic Odor, Odor Of Coal Tar, Sweet, Tarry Odor; |
| Smiles | Cc1cccc(O)c1 |
| InChl Key | RLSSMJSEOOYNOY-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| CAS Registry Number | 108-39-4, 15831-10-4 |
| IUPAC Systematic Name | 3-methylphenol |
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 |
|---|---|---|---|---|---|
| Doubleteeth Pubescent Angelica Equivalent plant: H | Du Huo (独活) | Angelicae Pubescentis Radix | Warm, Pungent, Bitter | Spleen, Liver | View Graph |
| Myrrh | Mo Yao (没药) | Myrrha | Neutral, Pungent, Bitter | Spleen, Liver, Heart, Kidney | View Graph |
| Common Aucklandia (Costustoot) | Mu Xiang(木香) | Aucklandiae Radix | Warm, Bitter, Pungent | Spleen, Large Intestine, Stomach, Gallbladder, Three End | View Graph |
| Arisaema consanguineum | Tian Nan Xing(天南星) | Reddish Jackinthepulpit Equivalent plant: Pinelli | Warm,Pungent,Bitter | Lung,Spleen,Liver | View Graph |
| Chinese Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
m-Cresol is a component found in temporal glands secretions during musth in male African elephants.It is a colourless, viscous liquid. It is a constituent of tobacco smoke .It has inhibitory effect on the nitrication specic rates.
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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9. Some chemical constituents of the secretion from the temporal gland of the African elephant (Loxodonta africana). Jack Adams, Alexander Garcia and Christopher S. Foote, Journal of Chemical Ecology, 1978, Volume 4, Number 1, 17-25.
10. Talhout, Reinskje; Schulz, Thomas; Florek, Ewa; Van Benthem, Jan; Wester, Piet; Opperhuizen, Antoon. "Hazardous Compounds in Tobacco Smoke". International Journal of Environmental Research and Public Health.2011, 8 (12): 613C628.
11. https://en.wikipedia.org/wiki/M-Cresol