2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00198 |
| Mol. Weight | 98.145 g/mol |
| LogP | 0.93 |
| Water solubility | 0.00646 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3 | 0.8 |
| Identifiers | |
|---|---|
| Formula | C6H10O |
| PubChem CID | 6494 |
| FEMA | - |
| Flavor Profile | Pungent |
| Smiles | CCC(C)(C#C)O |
| InChl Key | QXLPXWSKPNOQLE-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3 |
| CAS Registry Number | 77-75-8 |
| IUPAC Systematic Name | 3-methylpent-1-yn-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 |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
M e t h y l p e n t y n o l ( M e t h y l p a r a f y n o l , D o r m i s o n , A t e m o r i n , O b l i v o n ) i s a t e r t i a r y h e x a n o l w i t h h y p n o t i c / s e d a t i v e a n d a n t i c o n v u l s a n t e f f e c t s a n d a n e x c e p t i o n a l l y l o w t h e r a p e u t i c i n d e x . I t w a s d i s c o v e r e d b y B a y e r i n 1 9 1 3 [ 1 ] a n d w a s u s e d s h o r t l y t h e r e a f t e r f o r t h e t r e a t m e n t o f i n s o m n i a , b u t i t s u s e w a s q u i c k l y p h a s e d o u t i n r e s p o n s e t o n e w e r d r u g s w i t h f a r m o r e f a v o r a b l e s a f e t y p r o f i l e s
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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