2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00076 |
| Mol. Weight | 226.404 g/mol |
| LogP | 5.7 |
| Water solubility | 0.000000832 mol/L at 20 °C |
| Hydrogen Bond Donor | None |
| Hydrogen Bond Acceptor | 0 |
| Rotatable Bonds | 1 |
| XLogP3 | 6.3 |
| Identifiers | |
|---|---|
| Formula | C15H30O |
| PubChem CID | 61303 |
| FEMA | 3724 |
| Flavor Profile | Green |
| Smiles | CCCCCCCCCCCCCC(C)=O |
| InChl Key | CJPNOLIZCWDHJK-UHFFFAOYSA-N |
| InChl | InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3 |
| CAS Registry Number | 2345-28-0 |
| IUPAC Systematic Name | pentadecan-2-one |
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 |
|---|---|---|---|---|---|
| Medicinal Indianmulberry | Ba Ji Tian(巴戟天) | Morindae Officinalis Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
| Evodia rutaecarpa | Wu Zhu Yu(吴茱萸) | Medicinal Evodia Equivalent plant: Evodia rutaecar | Pungent, bitter, hot | Liver, spleen,stomach | View Graph |
NO DATA
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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