2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00089 |
| Mol. Weight | 110.112 g/mol |
| LogP | 0.67 |
| Water solubility | 0.135 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 1 |
| XLogP3 | 0.7 |
| Identifiers | |
|---|---|
| Formula | C6H6O2 |
| PubChem CID | 12097 |
| FEMA | 2702 |
| Flavor Profile | None |
| Smiles | CC1=CC=C(O1)C=O |
| InChl Key | OUDFNZMQXZILJD-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3 |
| CAS Registry Number | 620-02-0 |
| IUPAC Systematic Name | 5-methylfuran-2-carbaldehyde |
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 |
|---|---|---|---|---|---|
| Dahurian Angelica | Bai Zhi(白芷) | Angelicae Dahuricae Radix | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Bugbane Equivalent plant: Cimicifuga dahurica, Ci | Sheng Ma(升麻) | Cimicifugae Rhizoma | Cold, Sweet, Pungent | Lung, Spleen, Large Intestine, Stomach | View Graph |
| Curculigo orchioides | Xian Mao(仙茅) | Common Cruculigo | Hot,Pungent | Large Intestine, Stomach | View Graph |
5-methylfurfural has a cherry odor.
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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