2D Structure

3D Structure

2-Nonanone


Properties
PID PID00050
Mol. Weight 142.242 g/mol
LogP 3.14
Water solubility 0.371 mg/mL at 25 °C
Hydrogen Bond Donor 0
Hydrogen Bond Acceptor 1
Rotatable Bonds 6
XLogP3 3.1

2-Nonanone

Identifiers
Formula C9H18O
PubChem CID 13187
FEMA 2785
Flavor Profile Fragrant, Fruit, Green, Hot Milk;
Smiles CCCCCCCC(C)=O
InChl Key VKCYHJWLYTUGCC-UHFFFAOYSA-N
InChl InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
CAS Registry Number 821-55-6
IUPAC Systematic Name nonan-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
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
Doubleteeth Pubescent Angelica Equivalent plant: HDu Huo (独活)Angelicae Pubescentis RadixWarm, Pungent, BitterSpleen, LiverView Graph
Zedoray RhizomeE Zhu (莪术)Curcumae RhizomaWarm, Pungent, BitterSpleen, LiverView Graph
Divaricate SaposhnikoviaFang Feng (防风)Saposhnikoviae RadixWarm, Pungent, SweetLung, Bladder, HeartView Graph
Common Ginger Dried RhizomeGan Jiang (干姜)Zingiberis RhizomaHot, PungentLung, Spleen, Stomach, Heart, KidneyView Graph
Incised Notopterygium Equivalent plant: NotopteryQiang Huo(羌活)Notopterygii Rhizoma Et RadixWarm, Bitter, PungentSpleen, Large Intestine, Stomach, Gallbladder, Three EndView 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
Virgate Wormwood HerbYin Chen(茵陈)Artemisiae Scopariae HerbaCold, Bitter, pungentBladder, Spleen, Liver,StomachView Graph

Pharmacological action

2-Nonanone has been already reported in Chinese cabbage.



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 Buhr K, van Ruth S, Delahunty C. Analysis of volatile flavour compounds by Proton Transfer Reaction-Mass Spectrometry: fragmentation patterns and discrimination between isobaric and isomeric compounds[J]. International Journal of Mass Spectrometry, 2002, 221(1): 1-7.

2 Pierre P S, Jansen J J, Hordijk C A, et al. Differences in volatile profiles of turnip plants subjected to single and dual herbivory above-and belowground[J]. Journal of chemical ecology, 2011, 37(4): 368.

3 Yamazoe A, Kimura K. The nematode C. elegans responds to the gradient direction of a repulsive odor 2-nonanone[J]. Neuroscience Research, 2010 (68): e278.

4 Lavra L, Catini A, Ulivieri A, et al. Investigation of VOCs associated with different characteristics of breast cancer cells[J]. Scientific reports, 2015, 5: 13246.

5 Gire D H, Whitesell J D, Doucette W, et al. Information for decision-making and stimulus identification is multiplexed in sensory cortex[J]. Nature neuroscience, 2013, 16(8): 991.

6 Pennarun A L, Prost C, Demaimay M. Identification and origin of the character\impact compounds of raw oyster Crassostrea gigas[J]. Journal of the Science of Food and Agriculture, 2002, 82(14): 1652-1660.