2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00054 |
| Mol. Weight | 136.238 g/mol |
| LogP | 3.48 |
| Water solubility | 0.00123 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 0 |
| Rotatable Bonds | 3 |
| XLogP3 | 4.3 |
| Identifiers | |
|---|---|
| Formula | C10H16 |
| PubChem CID | 18756 |
| FEMA | 3539 |
| Flavor Profile | None |
| Smiles | C=CC(C)=CCC=C(C)C |
| InChl Key | IHPKGUQCSIINRJ-UHFFFAOYSA-N |
| InChl | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3 |
| CAS Registry Number | 13877-91-3 |
| IUPAC Systematic Name | 3,7-dimethylocta-1,3,6-triene |
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 |
|---|---|---|---|---|---|
| Clove Tree | Ding Xiang (丁香) | Caryophylli Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Fructus Galangae | Hong Dou Kou(红豆蔻 ) | Galanga Galangal Fruit | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Apple Mint | Yu Xian Cao(鱼腥草) | Houttuyniae Herba | Cold, Pungent | Lung | View Graph |
| Wilson Citron | Xiang Yuan(香橼) | Citri Fructus | Warm, Pungent, Sour, Slightly Bitter | Lung, Spleen, Liver | View Graph |
Ocimenes are a group of isomeric hydrocarbons. The ocimenes are monoterpenes found within a variety of plants and fruits. α-farnesene and ocimenes are
common volatile terpenes of HIPVs in tea plants.
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 Navia-Giné W G, Yuan J S, Mauromoustakos A, et al. Medicago truncatula (E)-β-ocimene synthase is induced by insect herbivory with corresponding increases in emission of volatile ocimene[J]. Plant Physiology and Biochemistry, 2009, 47(5): 416-425.
2 https://en.wikipedia.org/wiki/Ocimene