2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00013 |
| Mol. Weight | 152.149 g/mol |
| LogP | 1.22 |
| Water solubility | In water, 11020 mg/L at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 3 |
| Rotatable Bonds | 2 |
| XLogP3 | 1.2 |
| Identifiers | |
|---|---|
| Formula | C8H8O3 |
| PubChem CID | 1183 |
| FEMA | 3107 |
| Flavor Profile | Sweetish Smell, Pleasant Aromatic Vanilla Odor,Pleasant Vanilla Taste |
| Smiles | COc1cc(C=O)ccc1O |
| InChl Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| CAS Registry Number | None |
| IUPAC Systematic Name | 121-33-5 |
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 |
|---|---|---|---|---|---|
| Chuanxiong (Wallich Ligusticum) Equivalent plant | Chuan Xiong (川芎) | Ligusticum chuanxiong Hort | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
| Clove Tree | Ding Xiang (丁香) | Caryophylli Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Lesser Galangal | Gao Liang Jiang (高良姜) | Alpiniae Officinarum Rhizoma | Hot,Pungent | Large Intestine, Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜 ) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Oriental Sweetgum Resin | Su He Xiang (苏合香) | Styrax | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Betenutpalm | Bing Lang (槟榔) | Arecae Semen | Warm, Bitter, Pungent | Large Intestine, Stomach | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Dried Tangerine Peel | Chen Pi (陈皮) | Cititri Reticulatae Pericarpium | Warm,Bitter, Pungent | Spleen, Lung | View Graph |
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, 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 |
| Sandalwood | Tan Xiang(檀香) | Santali Albi Lignum | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Clematis | Wei Ling Xian (威灵仙) | Clematidis Radix Et Rhizoma | Warm, Pungent, Salty | Bladder | View Graph |
| Virgate Wormwood Herb | Yin Chen(茵陈) | Artemisiae Scopariae Herba | Cold, Bitter, pungent | Bladder, Spleen, Liver,Stomach | View Graph |
| Cacumen Tamaricis | Xi He Liu(西河柳) | Chinese Tamarisk Twig | Mild,Pungent,Sweet | Lung,Stomach,Heart | View Graph |
| Styrax benzoin | An Xi Xiang(安息香) | Sumatra Snowbell Equivalent plant: Styrax tonkinen | Mild,Pungent,Bitter | Spleen,Heart | View Graph |
| Frankincense, Olibanum | Ru Xiang (乳香) | Olibanum | Warm,Bitter, Pungent | Spleen, Lung | View Graph |
| Periploca sepium | Xiang Jia Pi(香加皮) | Chinese Silkvine Root-bark | Minor Warm,Pungent,Bitter | Liver,Heart,Kidney | View Graph |
Vanillin, a very popular flavouring compound, is widely used throughout the world. The principal natural resource of vanillin is the cured vanilla pods.
A flavoring agent and an analytical reagent. It is an antimutagen, anticlastogen, anticarcinogen and an inhibitor of non-homologous end-joining and DNA-PK.
Vanillin is most prominent as the principal flavor and aroma compound in vanilla. Cured vanilla pods contain about 2% by dry weight vanillin; on cured
pods of high quality, relatively pure vanillin may be visible as a white dust or "frost" on the exterior of the pod.
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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