2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00167 |
| Mol. Weight | 86.134 g/mol |
| LogP | None |
| Water solubility | 0.631 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 1.1 |
| Identifiers | |
|---|---|
| Formula | C5H10O |
| PubChem CID | 6999774 |
| FEMA | - |
| Flavor Profile | None |
| Smiles | CCC(C=C)O |
| InChl Key | VHVMXWZXFBOANQ-RXMQYKEDSA-N |
| InChl | InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m1/s1 |
| CAS Registry Number | 616-25-1 |
| IUPAC Systematic Name | (3S)-pent-1-en-3-ol |
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 |
|---|---|---|---|---|---|
| Wild Mint | Bo He (薄荷) | Menthae Haplocalycis Herba | Cool, Pungent | Liver, Lung | View Graph |
| Brassica juncea | Jie Zi(芥子) | India Mustard Seed | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Great Burdock Fruit | Niu Bang Zi(牛蒡子) | Arctii Fructus | Cold, Bitter, Pungent | Bladder, Spleen, Liver,Stomach | View Graph |
NO DATA
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. Sheikh S, Weiner H. Allosteric inhibition of human liver aldehyde dehydrogenase by the isoflavone prunetin[J]. Biochemical pharmacology, 1997, 53(4): 471-478.
2. Barbas, C. F., Heine, A., Zhong, G., Hoffmann, T., Gramatikova, S., Bj?rnestedt, R., Lerner, R. A. Immune versus natural selection: antibody aldolases with enzymic rates but broader scope[J]. Science, 1997, 278(5346): 2085-2092.
3. Bond, J. Q., Alonso, D. M., Wang, D., West, R. M., Dumesic, J. A. Integrated catalytic conversion of -valerolactone to liquid alkenes for transportation fuels[J]. Science, 2010, 327(5969): 1110-1114.
4. Jacobsen, J. R., Hutchinson, C. R., Cane, D. E., Khosla, C.Precursor-directed biosynthesis of erythromycin analogs by an engineered polyketide synthase[J]. Science, 1997, 277(5324): 367-369.
5. Tanaka S, Sawaya M R, Yeates T O. Structure and mechanisms of a protein-based organelle in Escherichia coli[J]. Science, 2010, 327(5961): 81-84.