2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00029 |
| Mol. Weight | 196.29 g/mol |
| LogP | 2.94 |
| Water solubility | In water, 6.8 mg/L at 25 °C (est); |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 6 |
| XLogP3-AA | 3.5 |
| Identifiers | |
|---|---|
| Formula | C12H20O2 |
| PubChem CID | 1549025 |
| FEMA | 2773 |
| Flavor Profile | Odor Of Lavender, Sweet, Fruity-Floral, Rosy, Somewhat Green And Remotely Lavender-Like Odor Of Moderate Tenacity, Sweet, Fragrant Odor |
| Smiles | CC(=O)OC/C=C(/C)CCC=C(C)C |
| InChl Key | HIGQPQRQIQDZMP-FLIBITNWSA-N |
| InChl | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8- |
| CAS Registry Number | 141-12-8 |
| IUPAC Systematic Name | [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate |
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 |
|---|---|---|---|---|---|
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Round Cardamon Fruit | Dou Kou (豆蔻) | Amomi Fructus Rotundus | Warm, Pungent, | Spleen, Lung, Stomach | View Graph |
| Divaricate Saposhnikovia | Fang Feng (防风) | Saposhnikoviae Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Common Ginger Dried Rhizome | Gan Jiang (干姜) | Zingiberis Rhizoma | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| bark of Officinal magnolia | Hou Pu(厚朴) | Magnoliae Officinalis Cortex | Warm, Pungent, Bitter | Spleen, Liver | View Graph |
| Bunge Pricklyash Equivalent plant: Zanthoxylum sch | Hua Jiao (花椒) | Zanthoxyli Pericarpium | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
| Cassiabarktree | Rou Gui (肉桂) | Cinnamomi Cortex | Hot, Sweet, Pungent | Liver, Heart, Spleen, Kidney | View Graph |
| Frankincense, Olibanum | Ru Xiang (乳香) | Olibanum | Warm,Bitter, Pungent | Spleen, Lung | View Graph |
| Villous Amomum Equivalent plant: Amomum xanthioide | Sha Ren (砂仁) | Amomi Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Haichow Elsholtzia | Xiang Ru (香薷) | Moslae Herba | Minor Warm,Pungent | Lung, Spleen, Stomach | View Graph |
| Wilson Citron | Xiang Yuan(香橼) | Citri Fructus | Warm, Pungent, Sour, Slightly Bitter | Lung, Spleen, Liver | View Graph |
| Lily Magnolia Buds Equivalent plant: Magnolia lili | Xin Yi (辛夷) | Magnoliae Flos | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Tsaoko | Cao Guo (草果) | Tsaoko Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Divaricate Saposhnikovia | Fang Feng (防风) | Saposhnikoviae Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Siebold Wildginger Equivalent plant: Asarum hetero | Xi Xin (细辛) | Asari Radix Et Rhizoma | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Tsaoko | Cao Guo (草果) | Tsaoko Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Artemisia argyi | Ai Ye(艾叶) | Argy Wormwood Leaf Equivalent plant: Artemisia mon | Warm,Pungent,Bitter | Lung,Spleen,Liver | View Graph |
| Daucus carota | Nan He Shi(南鹤虱) | Wild Carrot Fruit | Neural, Bitter, Pungent | Lung | View Graph |
| Cnidium monnieri | She Chuang Zi(蛇床子) | Common Cnidium | Warm,Pungent,Bitter | Lung,Spleen,Liver | View Graph |
Neryl acetate is a chemical compound found in citrus oils. Chemically, it is the acetate ester of nerol. In flavors and perfumery it is used to impart
floral an d fruity aromas.
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 https://www.sigmaaldrich.com/catalog/product/aldrich/w277304?lang=zh®ion=CN
2 Kim A, Im M, Yim N H, et al. Reduction of metastatic and angiogenic potency of malignant cancer by Eupatorium fortunei via suppression of MMP-9 activity and VEGF production[J]. Scientific reports, 2014, 4: 6994.