2D Structure
3D Structure
Properties | |
---|---|
PID | PID00098 |
Mol. Weight | 94.113 g/mol |
LogP | 1.46 |
Water solubility | 82800 mg/l at 25 °C |
Hydrogen Bond Donor | 1 |
Hydrogen Bond Acceptor | 1 |
Rotatable Bonds | 0 |
XLogP3 | 1.5 |
Identifiers | |
---|---|
Formula | C6H6O |
PubChem CID | 996 |
FEMA | 3232 |
Flavor Profile | Sweet, Tarry Odor, Somewhat Sickeningly Sweet And Acrid, Sharp, Burning Taste |
Smiles | Oc1ccccc1 |
InChl Key | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
InChl | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
CAS Registry Number | 108-95-2, 27073-41-2, 61788-41-8, 63496-48-0, 73607-76-8 |
IUPAC Systematic Name | phenol |
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 Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
Chinese Clematis | Wei Ling Xian (威灵仙) | Clematidis Radix Et Rhizoma | Warm, Pungent, Salty | Bladder | View Graph |
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