2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00189 |
| Mol. Weight | 196.29 g/mol |
| LogP | 3.62 |
| Water solubility | 0.000309 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 2 |
| XLogP3 | 3.3 |
| Identifiers | |
|---|---|
| Formula | C12H20O2 |
| PubChem CID | 6950274 |
| FEMA | 2159 |
| Flavor Profile | Green, Herb, Pine |
| Smiles | CC(=O)OC1CC2CCC1(C2(C)C)C |
| InChl Key | KGEKLUUHTZCSIP-SCVCMEIPSA-N |
| InChl | InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1 |
| CAS Registry Number | 76-49-3, 5655-61-8, 20347-65-3 |
| IUPAC Systematic Name | [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate |
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 |
|---|---|---|---|---|---|
| Artemisia argyi | Ai Ye(艾叶) | Argy Wormwood Leaf Equivalent plant: Artemisia mon | Warm,Pungent,Bitter | Lung,Spleen,Liver | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Frankincense, Olibanum | Ru Xiang (乳香) | Olibanum | Warm，Bitter, Pungent | Spleen, Lung | View Graph |
| Villous Amomum Equivalent plant: Amomum xanthioide | Sha Ren (砂仁) | Amomi Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
(+)-bornyl acetate is a monoterpenoid and an acetate ester. It derives from a (+)-borneol.
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 . S a y y a h M , N a d j a f n i a L , K a m a l i n e j a d M . A n t i c o n v u l s a n t a c t i v i t y a n d c h e m i c a l c o m p o s i t i o n o f A r t e m i s i a d r a c u n c u l u s L . e s s e n t i a l o i l [ J ] . J o u r n a l o f E t h n o p h a r m a c o l o g y , 2 0 0 4 , 9 4 ( 2 - 3 ) : 2 8 3 - 2 8 7 .
2 . Y a n g , L . , L i u , J . , L i , Y . , & Q i , G . B o r n y l a c e t a t e s u p p r e s s e s o x - L D L - i n d u c e d a t t a c h m e n t o f T H P - 1 m o n o c y t e s t o e n d o t h e l i a l c e l l s [ J ] . B i o m e d i c i n e & P h a r m a c o t h e r a p y , 2 0 1 8 , 1 0 3 : 2 3 4 - 2 3 9 .
3 . E l J e m l i , M . , K a m a l , R . , M a r m o u z i , I . , D o u k k a l i , Z . , B o u i d i d a , E . H . , T o u a t i , D . , . . . & A l a o u i , K . C h e m i c a l c o m p o s i t i o n , a c u t e t o x i c i t y , a n t i o x i d a n t a n d a n t i - i n f l a m m a t o r y a c t i v i t i e s o f M o r o c c a n T e t r a c l i n i s a r t i c u l a t a L [ J ] . J o u r n a l o f t r a d i t i o n a l a n d c o m p l e m e n t a r y m e d i c i n e , 2 0 1 7 , 7 ( 3 ) : 2 8 1 - 2 8 7 .
4 . M o r o z o v a , S . S . , K a t y u z h a n s k a y a , A . N . , P e k h o v , A . V . , K o s h e v o i , E . P . , & M i k h a i l o v a , N . S . D e v e l o p m e n t o f a m e t h o d f o r d e t e r m i n i n g b o r n y l a c e t a t e i n t h e p r o d u c t s o f t h e p r o c e s s i n g o f A b i e s s i b i r i c a [ J ] . C h e m i s t r y o f N a t u r a l C o m p o u n d s , 1 9 7 6 , 1 2 ( 3 ) : 2 6 9 - 2 7 2 .
5 . S e l l a m i , I . H . , M a a m o u r i , E . , C h a h e d , T . , W a n n e s , W . A . , K c h o u k , M . E . , & M a r z o u k , B . E f f e c t o f g r o w t h s t a g e o n t h e c o n t e n t a n d c o m p o s i t i o n o f t h e e s s e n t i a l o i l a n d p h e n o l i c f r a c t i o n o f s w e e t m a r j o r a m ( O r i g a n u m m a j o r a n a L . ) [ J ] . I n d u s t r i a l C r o p s a n d P r o d u c t s , 2 0 0 9 , 3 0 ( 3 ) : 3 9 5 - 4 0 2 .
6 . C h e n , N . , S u n , G . , Y u a n , X . , H o u , J . , W u , Q . , S o r o m o u , L . W . , & F e n g , H . I n h i b i t i o n o f l u n g i n f l a m m a t o r y r e s p o n s e s b y b o r n y l a c e t a t e i s c o r r e l a t e d w i t h r e g u l a t i o n o f m y e l o p e r o x i d a s e a c t i v i t y [ J ] . j o u r n a l o f s u r g i c a l r e s e a r c h , 2 0 1 4 , 1 8 6 ( 1 ) : 4 3 6 - 4 4 5 .
7 . B u f a l o , J . , C a n t r e l l , C . L . , A s t a t k i e , T . , Z h e l j a z k o v , V . D . , G a w d e , A . , & B o a r o , C . S . F . O r g a n i c v e r s u s c o n v e n t i o n a l f e r t i l i z a t i o n e f f e c t s o n s w e e t b a s i l ( O c i m u m b a s i l i c u m L . ) g r o w t h i n a g r e e n h o u s e s y s t e m [ J ] . I n d u s t r i a l C r o p s a n d P r o d u c t s , 2 0 1 5 , 7 4 : 2 4 9 - 2 5 4 .
8 . M a n a b e S , N i s h i n o C . S e x p h e r o m o n a l a c t i v i t y o f ( + ) - b o r n y l a c e t a t e a n d r e l a t e d c o m p o u n d s t o t h e A m e r i c a n c o c k r o a c h [ J ] . J o u r n a l o f c h e m i c a l e c o l o g y , 1 9 8 3 , 9 ( 3 ) : 4 3 3 - 4 4 8 .
9 . h t t p s : / / p u b c h e m . n c b i . n l m . n i h . g o v / c o m p o u n d / 6 9 5 0 2 7 4