2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00043 |
| Mol. Weight | 108.14 g/mol |
| LogP | 2.0 |
| Water solubility | In water, 25900 mg/L at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 0 |
| XLogP3-AA | None |
| Identifiers | |
|---|---|
| Formula | C7H8O |
| PubChem CID | 335 |
| FEMA | 3480 |
| Flavor Profile | Phenolic Odor, Sweet, Tarry Odor |
| Smiles | Cc1ccccc1O |
| InChl Key | QWVGKYWNOKOFNN-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 |
| CAS Registry Number | 95-48-7 |
| IUPAC Systematic Name | 2-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 |
|---|---|---|---|---|---|
| Chuanxiong (Wallich Ligusticum) Equivalent plant | Chuan Xiong (川芎) | Ligusticum chuanxiong Hort | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Bugbane Equivalent plant: Cimicifuga dahurica, Ci | Sheng Ma(升麻) | Cimicifugae Rhizoma | Cold, Sweet, Pungent | Lung, Spleen, Large Intestine, Stomach | View Graph |
ortho-Cresol, also 2-methylphenol, is an organic compound with the formula CH3C6H4(OH). It is a colourless solid that is widely used intermediate in the
production of other chemicals.It is a derivative of phenol and is an isomer of p-cresol and m-cresol.
o-Cresol is one of the chemical compounds found in castoreum. This compound is gathered from the beaver's castor glands and found in the white cedar
consumed by the beaver.o-Cresol is a constituent of tobacco smoke.
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.
1 Butterwick J A, del Mrmol J, Kim K H, et al. Cryo-EM structure of the insect olfactory receptor Orco[J]. Nature, 2018, 560(7719): 447.
2 Wiley-VCH, Weinheim, doi:10.1002/14356007.a08_025, 2007. 5.Helmut Fiegein Cresols and Xylenols in Ullmann's Encyclopedia of Industrial Chemistry;
3 Talhout R, Schulz T, Florek E, et al. Hazardous compounds in tobacco smoke[J]. International journal of environmental research and public health, 2011, 8(2): 613-628.
4 https://en.wikipedia.org/wiki/O-Cresol