2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00158 |
| Mol. Weight | 112.172 g/mol |
| LogP | 2.09 |
| Water solubility | 0.0102 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 4 |
| XLogP3-AA | 2.1 |
| Identifiers | |
|---|---|
| Formula | C7H12O |
| PubChem CID | 5283316 |
| FEMA | 3165 |
| Flavor Profile | Almond, Fat, Fruit |
| Smiles | CCCC/C=C/C=O |
| InChl Key | NDFKTBCGKNOHPJ-AATRIKPKSA-N |
| InChl | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
| CAS Registry Number | 2463-63-0, 18829-55-5, 29381-66-6 |
| IUPAC Systematic Name | (E)-hept-2-enal |
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 |
|---|---|---|---|---|---|
| Medicinal Indianmulberry | Ba Ji Tian(巴戟天) | Morindae Officinalis Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
| Eucommia ulmoides | Du Zhong Ye(杜仲叶) | Eucommia Leaf | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Cnidium monnieri | She Chuang Zi(蛇床子) | Common Cnidium | Warm,Pungent,Bitter | Lung,Spleen,Liver | View Graph |
| Cacumen Tamaricis | Xi He Liu(西河柳) | Chinese Tamarisk Twig | Mild,Pungent,Sweet | Lung,Stomach,Heart | View Graph |
Hept-2-enal is an enal consisting of hept-2-ene having an oxo group at the 1-position. It is a monounsaturated fatty aldehyde and a n-alk-2-enal. 2-Heptenal is found in pulses. 2-Heptenal is isolated from soya bean oil (Glycine max). 2-Heptenal is a flavouring constituent of many foods.
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://pubchem.ncbi.nlm.nih.gov/compound/5283316