2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00034 |
| Mol. Weight | 136.238 g/mol |
| LogP | 4.38 |
| Water solubility | 0.0011 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 0 |
| Rotatable Bonds | 0 |
| XLogP3-AA | 2.8 |
| Identifiers | |
|---|---|
| Formula | C10H16 |
| PubChem CID | 26049 |
| FEMA | 3821 |
| Flavor Profile | None |
| Smiles | CC1=CCC2C(C1)C2(C)C |
| InChl Key | BQOFWKZOCNGFEC-UHFFFAOYSA-N |
| InChl | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 |
| CAS Registry Number | 13466-78-9; 74806-04-5 |
| IUPAC Systematic Name | 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
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 |
|---|---|---|---|---|---|
| Clove Tree | Ding Xiang (丁香) | Caryophylli Flos | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Chuanxiong (Wallich Ligusticum) Equivalent plant | Chuan Xiong (川芎) | Ligusticum chuanxiong Hort | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
| Siebold Wildginger Equivalent plant: Asarum hetero | Xi Xin (细辛) | Asari Radix Et Rhizoma | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Murraya paniculata [Syn. Chalcas paniculata] | Jiu Li Xiang(九里香) | Common Jasminorange Equivalent plant: Murraya pan | Neural, Bitter, Pungent | Lung | View Graph |
| Wilson Citron | Xiang Yuan(香橼) | Citri Fructus | Warm, Pungent, Sour, Slightly Bitter | Lung, Spleen, Liver | View Graph |
| Wilson Citron | Xiang Yuan(香橼) | Citri Fructus | Warm, Pungent, Sour, Slightly Bitter | Lung, Spleen, Liver | View Graph |
3-Carene is a bicyclic monoterpene consisting of fused cyclohexene and cyclopropane rings. It occurs as a constituent of turpentine.
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 Johansson A, Lundborg M. Effects of low concentrations of 3-carene on alveolar macrophages in vitro[J]. Toxicology, 1997, 120(2): 99-104.
2 Låstbom L, Boman A, Camner P, et al. Increased airway responsiveness after skin sensitisation to 3-carene, studied in isolated guinea pig lungs[J]. Toxicology, 2000, 147(3): 209-214.
3 Låstbom L, Boman A, Camner P, et al. Increased airway responsiveness after skin sensitisation to 3-carene, studied in isolated guinea pig lungs[J]. Toxicology, 2000, 147(3): 209-214.
4 Låstbom L, Boman A, Johnsson S, et al. Increased airway responsiveness of a common fragrance component, 3-carene, after skin sensitisation—a study in isolated guinea pig lungs[J]. Toxicology letters, 2003, 145(2): 189-196.
5 QINGDAO J Q I U I N. China battles army of invaders[J]. Nature, 2013, 503.
6 Girling R D, Lusebrink I, Farthing E, et al. Diesel exhaust rapidly degrades floral odours used by honeybees[J]. Scientific Reports, 2013, 3: 2779.
7 Pijls K E, Smolinska A, Jonkers D M A E, et al. A profile of volatile organic compounds in exhaled air as a potential non-invasive biomarker for liver cirrhosis[J]. Scientific reports, 2016, 6: 19903.
8 Filella I, Primante C, Llusia J, et al. Floral advertisement scent in a changing plant-pollinators market[J]. Scientific reports, 2013, 3: 3434.
9 Ogg M C, Ross J M, Bendahmane M, et al. Olfactory bulb acetylcholine release dishabituates odor responses and reinstates odor investigation[J]. Nature communications, 2018, 9(1): 1868.
10 Ditengou F A, Müller A, Rosenkranz M, et al. Volatile signalling by sesquiterpenes from ectomycorrhizal fungi reprogrammes root architecture[J]. Nature communications, 2015, 6: 6279.
11 Humphrey A J, Beale M H. Terpenes[J]. Plant Secondary Metabolites: Occurrence, Structure and Role in the Human Diet, 2006: 47-101.
12 https://en.wikipedia.org/wiki/3-Carene