2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00064 |
| Mol. Weight | 86.134 g/mol |
| LogP | 1.21 |
| Water solubility | 0.174 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 1.1 |
| Identifiers | |
|---|---|
| Formula | C5H10O |
| PubChem CID | 8063 |
| FEMA | 3098 |
| Flavor Profile | Almond, Bitter, Malt, Oil, Pungent |
| Smiles | CCCCC=O |
| InChl Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| CAS Registry Number | 110-62-3 |
| IUPAC Systematic Name | pentanal |
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 |
|---|---|---|---|---|---|
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Divaricate Saposhnikovia | Fang Feng (防风) | Saposhnikoviae Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Evodia rutaecarpa | Wu Zhu Yu(吴茱萸) | Medicinal Evodia Equivalent plant: Evodia rutaecar | Pungent, bitter, hot | Liver, spleen,stomach | View Graph |
| Allium sativum | Da Suan(大蒜) | Garlic | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Divaricate Saposhnikovia | Fang Feng (防风) | Saposhnikoviae Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
Pentanal, also called pentanaldehyde or valeraldehyde, is an alkyl aldehyde, molecular formula C5H10O. It is used in flavorings, resin chemistry, and rubber accelerators. Its smell is described as fermented, bready, fruity, nutty, berry.
Pentanal is used in different flavors (e. g. fruit flavors) and as a vulcanization accelerator.
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://en.wikipedia.org/wiki/Pentanal
2. Pellegrino, M., Steinbach, N., Stensmyr, M. C., Hansson, B. S., Vosshall, L. B. A natural polymorphism alters odour and DEET sensitivity in an insect odorant receptor[J]. Nature, 2011, 478(7370): 511.
3. Guadagni, D. G., Buttery, R. G., Okano, S., Burr, H. K. ADDITIVE EFFECT OF SUB-THRESHOLD CONCENTRATIONS OF SOME ORGANIC COMPOUNDS ASSOCIATED WITH FOOD AROMAS[J]. Nature, 1963, 200: 1288.
4. Abdalla, A. E., Tirzite, D., Tirzitis, G., Roozen, J. P. Antioxidant activity of 1, 4-dihydropyridine derivatives in -carotene-methyl linoleate, sunflower oil and emulsions[J]. Food Chemistry, 1999, 66(2): 189-195.
5. Wu, Y., Duan, S., Zhao, L., Gao, Z., Luo, M., Song, S., Wang, S.. Aroma characterization based on aromatic series analysis in table grapes[J]. Scientific reports, 2016, 6: 31116.
6. Cho, Y., Song, M. K., Kim, T. S., Ryu, J. C. DNA Methylome Analysis of Saturated Aliphatic Aldehydes in Pulmonary Toxicity[J]. Scientific reports, 2018, 8(1): 10497.
7. Abdalla A E, Roozen J P. Effect of plant extracts on the oxidative stability of sunflower oil and emulsion[J]. Food chemistry, 1999, 64(3): 323-329.
8. Warner, K., Evans, C. D., List, G. R., Dupuy, H. P., Wadsworth, J. I., Goheen, G. E. Flavor score correlation with pentanal and hexanal contents of vegetable oil[J]. Journal of the American Oil Chemists' Society, 1978, 55(2): 252-256.
9. Liu F, Liu N. Human odorant reception in the common bed bug, Cimex lectularius[J]. Scientific reports, 2015, 5: 15558.
10. Kobayakawa, K., Kobayakawa, R., Matsumoto, H., Oka, Y., Imai, T., Ikawa, M., Mori, K. Innate versus learned odour processing in the mouse olfactory bulb[J]. Nature, 2007, 450(7169): 503.
11. Liu F, Chen Z, Liu N. Molecular basis of olfactory chemoreception in the common bed bug, Cimex lectularius[J]. Scientific Reports, 2017, 7: 45531.
12. Uchida, N., Takahashi, Y. K., Tanifuji, M., Mori, K. Odor maps in the mammalian olfactory bulb: domain organization and odorant structural features[J]. Nature neuroscience, 2000, 3(10): 1035.
13. Schreiner L, Bauer P, Buettner A. Resolving the smell of wood-identification of odour-active compounds in Scots pine (Pinus sylvestris L.)[J]. Scientific reports, 2018, 8(1): 8294.
14. http://www.thegoodscentscompany.com/data/rw1009331.html