2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00165 |
| Mol. Weight | 154.212 g/mol |
| LogP | 4.01 |
| Water solubility | In water, 7.48 mg/L |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 0 |
| Rotatable Bonds | 1 |
| XLogP3 | 4.0 |
| Identifiers | |
|---|---|
| Formula | C12H10 |
| PubChem CID | 7095 |
| FEMA | 3129 |
| Flavor Profile | Pleasant, Peculiar Odor, Butter-Like, Characteristic Odor; Floral |
| Smiles | c1ccc(-c2ccccc2)cc1 |
| InChl Key | ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
| InChl | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| CAS Registry Number | 92-52-4, 68409-73-4 |
| IUPAC Systematic Name | 1,1'-biphenyl |
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 |
| Pericarpium Arecae | Da Fu Pi(大腹皮) | pericarp of Betelnutpalm | Minor Warm,Pungent | Lung, Spleen, Stomach | View Graph |
Organic molecules containing a chiral axis,typical drug-like scaffold,organic pollutant,etc.
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.Jacoby E. Biphenyls as potential mimetics of protein -helix[J]. Bioorganic & medicinal chemistry letters, 2002, 12(6): 891-893.
2.Li L A, Wang P W, Chang L W. Polychlorinated biphenyl 126 stimulates basal and inducible aldosterone biosynthesis of human adrenocortical H295R cells[J]. Toxicology and applied pharmacology, 2004, 195(1): 92-102.