2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00183 |
| Mol. Weight | 102.177 g/mol |
| LogP | 1.5 |
| Water solubility | 0.24 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 1.4 |
| Identifiers | |
|---|---|
| Formula | C6H14O |
| PubChem CID | 11543 |
| FEMA | 2560 |
| Flavor Profile | / |
| Smiles | CCCC(C)(C)O |
| InChl Key | WFRBDWRZVBPBDO-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3 |
| CAS Registry Number | 590-36-3 |
| IUPAC Systematic Name | 2-methylpentan-2-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 |
I t c a n b e a d d e d t o a g a s c h r o m a t o g r a p h t o h e l p d i s t i n g u i s h b e t w e e n b r a n c h e d c o m p o u n d s , e s p e c i a l l y a l c o h o l s . I t s p r e s e n c e i n u r i n e c a n b e u s e d t o t e s t f o r e x p o s u r e t o 2 - m e t h y l p e n t a n e .
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 . G u i o c h o n G , G u i l l e m i n C L . Q u a n t i t a t i v e g a s c h r o m a t o g r a p h y f o r l a b o r a t o r y a n a l y s e s a n d o n - l i n e p r o c e s s c o n t r o l [ M ] . E l s e v i e r , 1 9 8 8 .
2 . L a u w e r y s R R , H o e t P . I n d u s t r i a l c h e m i c a l e x p o s u r e : g u i d e l i n e s f o r b i o l o g i c a l m o n i t o r i n g [ M ] . C R C P r e s s , 2 0 0 1 .