2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00036 |
| Mol. Weight | 222.372 g/mol |
| LogP | 4.31 |
| Water solubility | In water, 1590 mg/L at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 7 |
| XLogP3-AA | 4.6 |
| Identifiers | |
|---|---|
| Formula | C15H26O |
| PubChem CID | 5284507 |
| FEMA | 2772 |
| Flavor Profile | Fir, Linoleum, Pine |
| Smiles | C=CC(C)(O)CC/C=C(\C)CCC=C(C)C |
| InChl Key | FQTLCLSUCSAZDY-SDNWHVSQSA-N |
| InChl | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+ |
| CAS Registry Number | 40716-66-3; 7212-44-4; 142-50-7 |
| IUPAC Systematic Name | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-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 |
|---|---|---|---|---|---|
| Dahurian Angelica | Bai Zhi(白芷) | Angelicae Dahuricae Radix | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Lily Magnolia Buds Equivalent plant: Magnolia lili | Xin Yi (辛夷) | Magnoliae Flos | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Fortune Eupatorium Equivalent plant: Eupatorium f | Pei Lan(佩兰) | Eupatorii Herba | Neural, Pungent | Lung,Spleen,Stomach | View Graph |
| Siebold Wildginger Equivalent plant: Asarum hetero | Xi Xin (细辛) | Asari Radix Et Rhizoma | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Alpinia katsumadai | Cao Dou Kou(草豆蔻) | Katsumada Galangal | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Villous Amomum Equivalent plant: Amomum xanthioide | Sha Ren (砂仁) | Amomi Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | 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 |
Nerolidol, also known as peruviol and penetrol , is a naturally occurring sesquiterpene alcohol found in the essential oils of many types of plants and flowers. It is also currently under testing as a skin penetration enhancer for the transdermal delivery of therapeutic drugs. Additionally, it is known for various biological activities include antioxidant, anti fungal, anticancer, and antimicrobial activity. It has a high cytotoxic potential and hydrophobic nature.
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.
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