2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00052 |
| Mol. Weight | 120.151 g/mol |
| LogP | 1.53 |
| Water solubility | In water, 6,130 mg/L at 25 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3 | 1.6 |
| Identifiers | |
|---|---|
| Formula | C8H8O |
| PubChem CID | 7410 |
| FEMA | 2009 |
| Flavor Profile | Almonds, Flower, Meat, Must; Sweet Pungent Odor, Sweet, Pungent And Strong Medicinal Odor, Sweet Almond-Like Smell, Sweet, Pungent Taste, Bitter, Aromatic Cherry Branch Taste |
| Smiles | CC(=O)c1ccccc1 |
| InChl Key | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| CAS Registry Number | 98-86-2 |
| IUPAC Systematic Name | 1-phenylethanone |
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 |
| Lilium brownii var. viridulum [Syn. Lilium brown | Bai He(百合) | Greenish Lily Equivalent plant: Lilium tigrinum, | Minor cold,Sweet | Heart | View Graph |
| Isatis indigotica | Ban Lan Gen(板蓝根) | Indigowoad Root | Cold,Bitter | Lung,Large Intestine,Stomach,Small Intestine | View Graph |
| Microcos paniculata. | Bu Zha Ye(布渣叶) | Microcos paniculata. | Neural,Bland, Sour | Liver,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 |
| Radix Paeoniae Rubra | Chi Shao(赤芍) | Red Peony root | Minor cold,Bitter | Lung,Stomach | View Graph |
| Chuanxiong (Wallich Ligusticum) Equivalent plant | Chuan Xiong (川芎) | Ligusticum chuanxiong Hort | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Clove Tree | Ding Xiang (丁香) | Caryophylli Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Doubleteeth Pubescent Angelica Equivalent plant: H | Du Huo (独活) | Angelicae Pubescentis Radix | Warm, Pungent, Bitter | Spleen, Liver | View Graph |
| flos puerariae lobatae | Ge Hua(葛花) | flower bud of lobed kudzuvine | Cool,Pungent,Sweet | Spleen,Stomach | View Graph |
| Lycium chinense | Gou Qi Zi(枸杞子) | Chinese Wolfberry Fruit Equivalent plant: Lycium b | Mild,Sweet | Lung,Spleen | View Graph |
| Lygodium japonicum | Hai Jin Sha(海金沙) | Japanese Climbing Fern | Cold,Sweet | Lung,Stomach,Heart | View Graph |
| bark of Officinal magnolia | Hou Pu(厚朴) | Magnoliae Officinalis Cortex | Warm, Pungent, Bitter | Spleen, Liver | View Graph |
| Phellodendron amurense | Huang Bai(黄柏) | Amur Corktree Equivalent plant: Phellodendron chin | Cold,Bitter | Lung,Large Intestine,Stomach,Small Intestine | View Graph |
| Flos Campsis | Ling Xiao Hua(凌霄花) | flower of Common Trumpetcreeper | Minor cold,Pungent | Liver,Cardiovascular | View Graph |
| Lysimachia foenum-graecum Hance | Ling Ling Xiang(零陵香) | Lingling incense | Warm, Pungent, Sweet | Lung | View Graph |
| Siraitia grosvenorii [Syn. Momordica grosvenorii | Luo Han Guo(罗汉果) | Grosvenor Siraitia | Cool,Sweet | Lung,Large Intestine | View Graph |
| Eriobotrya japonica | Pi Pa Ye(枇杷叶) | Loquat Leaf | Minor cold,Bitter | Lung,Stomach | View Graph |
| Chinese Clematis | Wei Ling Xian (威灵仙) | Clematidis Radix Et Rhizoma | Warm, Pungent, Salty | 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 |
| Ginkgobiloba | Yin Xing Ye(银杏叶) | GINKGO FOLIUM | neutral, bitter, sweet, astringent | Heart, Lung | View Graph |
| Coriandrum sativum L | Yan Sui(芫荽) | Cilantro | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Perilla frutescens var. arguta | Zi Su(紫苏) | Common Perilla Equivalent plant: Perilla frutescen | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Ligusticum sinense | Gao Ben(蒿本) | Chinese Ligusticum Equivalent plant: Ligusticum je | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Oriental Sweetgum Resin | Su He Xiang (苏合香) | Styrax | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Paniculate Swallowwort | Xu Chang Qing(徐长卿) | Cynanchi Paniculati Radix Et Rhizoma | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
It is the simplest aromatic ketone. This colorless, viscous liquid is a precursor to useful resins and fragrances. Acetophenone occurs naturally in many foods including apple, cheese, apricot, banana, beef, and cauliflower. It is also a component of castoreum, the exudate from the castor sacs of the mature beaver.
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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9. https://en.wikipedia.org/wiki/Acetophenone
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