2D Structure

3D Structure

2-Undecanone


Properties
PID PID00116
Mol. Weight 170.296 g/mol
LogP 4.09
Water solubility In water, 20 mg/L at 25 °C (est)
Hydrogen Bond Donor 0
Hydrogen Bond Acceptor 1
Rotatable Bonds 8
XLogP3 4.1

2-Undecanone

Identifiers
Formula C11H22O
PubChem CID 8163
FEMA 3039
Flavor Profile Strong Odor; Fresh, Green, Orange, Rose
Smiles CCCCCCCCCC(C)=O
InChl Key KYWIYKKSMDLRDC-UHFFFAOYSA-N
InChl InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
CAS Registry Number 112-12-9
IUPAC Systematic Name undecan-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/)


Related Pungent TCM

English Name Pinyin Name (Chinese Name) Latin Name Properties in TCM merdians View Graph
Ardisiae japonicaeAi Di Cha(矮地茶)Japanese Ardisia HerbMild,Pungent,BitterSpleen,HeartView Graph
Medicinal IndianmulberryBa Ji Tian(巴戟天)Morindae Officinalis RadixWarm, Pungent, SweetLung, Bladder, HeartView Graph
Ternate PinelliaBan Xia(半夏)Pinellia ternataWarm,PungentSpleen, Stomach, Kidney, LungView Graph
Chinese Thorowax Equivalent plant: Bupleurum scorzChai Hu(柴胡)Bupleuri RadixMinor cold, Pungent, BitterLiver, Gallbladder, LungView Graph
Clove TreeDing Xiang (丁香)Caryophylli FlosWarm,PungentSpleen, Stomach, Kidney, LungView Graph
Zedoray RhizomeE Zhu (莪术)Curcumae RhizomaWarm, Pungent, BitterSpleen, LiverView Graph
Common Ginger Dried RhizomeGan Jiang (干姜)Zingiberis RhizomaHot, PungentLung, Spleen, Stomach, Heart, KidneyView Graph
Bunge Pricklyash Equivalent plant: Zanthoxylum schHua Jiao (花椒)Zanthoxyli PericarpiumWarm,PungentSpleen, Stomach, Kidney, LungView Graph
Bush RedpepperLa Jiao (辣椒)Capsici FructusHot, PungentLung, Spleen, Stomach, Heart, KidneyView Graph
Saururus chinensisSan Bai Cao(三白草)Chinese LizardtailCold,Sweet,PungentLung,BladderView Graph
Fresh Common GingerSheng Jiang (生姜)Zingiber Rhizoma RecensWarm, PungentLung, Spleen, StomachView Graph
Lily Magnolia Buds Equivalent plant: Magnolia liliXin Yi (辛夷)Magnoliae FlosWarm, PungentLung, Spleen, StomachView Graph
Apple MintYu Xian Cao(鱼腥草)Houttuyniae HerbaCold, PungentLungView Graph

Pharmacological action

2-Undecanone is a colorless oil. Because of its strong odor it is primarily used as an insect repellent or animal repellent. Typically, 1C2% concentrations of 2-undecanone are found in dog and cat repellents in the form of a liquid, aerosol spray, or gel. 2-Undecanone is used in the perfumery and flavoring industries, but It has been investigated as a mosquito repellant, like DEET. Higher levels of 2-undecanone were toxic to Manduca sexta larvae. 2-Undecanone showed 3.6% growth inhibition of RS.



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.

References

1. https://en.wikipedia.org/wiki/2-Undecanone

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7. Stevens, J. L., Snyder, M. J., Koener, J. F., Feyereisen, R. Inducible P450s of the CYP9 family from larval Manduca sexta midgut[J]. Insect biochemistry and molecular biology, 2000, 30(7): 559-568.

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9. Palma, S. I., Traguedo, A. P., Porteira, A. R., Frias, M. J., Gamboa, H., Roque, A. C. Machine learning for the meta-analyses of microbial pathogens volatile signatures[J]. Scientific reports, 2018, 8 (1): 3360.

10. Sarria S, Kruyer N S, Peralta-Yahya P. Microbial synthesis of medium-chain chemicals from renewables[J]. Nature biotechnology, 2017, 35(12): 1158.

11. Shusterman, R., Smear, M. C., Koulakov, A. A., Rinberg, D. Precise olfactory responses tile the sniff cycle[J]. Nature neuroscience, 2011, 14(8): 1039.

12. Raza, W., Ling, N., Yang, L., Huang, Q., Shen, Q. Response of tomato wilt pathogen Ralstonia solanacearum to the volatile organic compounds produced by a biocontrol strain Bacillus amyloliquefaciens SQR-9[J]. Scientific reports, 2016, 6: 24856.

13. McCaskill D, Croteau R. Strategies for bioengineering the development and metabolism of glandular tissues in plants[J]. Nature biotechnology, 1999, 17(1): 31.