Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Jasmone-E
ScientificNameLabel
Jasmone-E
PHCD compound ID :
759
Chemical Names :
trans-Jasmone , (E)-Jasmone , Jasmone-E
Molecular Formula :
C11H16O1
Molecular Weight :
164.120115
More Details :
Names & Synonyms:
3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one , 3-methyl-2-[(E)-pent-2-enyl]-1-cyclopent-2-enone
Smiles:
CC/C=C/CC1=C(C)CCC1=O
InChi :
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+
InChi Key :
InChIKey=XMLSXPIVAXONDL-SNAWJCMRSA-N
PubChem ID :
1549019
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.507597
Hydrogen bond donor count :
0
Electric dipole moment :
4.091
XLogP :
2.324
VDW volume :
187.336681
Molecular weight :
164.120115
HOMO-LUMO gap :
9.581000
Herb list :
Erio yarrow - Achillea eriophora - بومادران
Fever few - Tanacetum parthenium - بابونه گاوی، مخلصه
Spear mint - Mentha spicata - نعنا دشتی، پونه سنبله ای، نعناع
Sweet wormwood - Artemisia annua - گندواش، درمنه خزری، درمنه یکساله
Refrences & Litretures:
52. Journal:'Journal of Oleo Science' Year:'2010' Volume:'59' Page:'177' DOI:'' Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
151. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'617' DOI:'10.1080/0972060X.2011.10643980' Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
659. Journal:'Industrial Crops and Products' Year:'2012' Volume:'37' Page:'479' DOI:'10.1016/j.indcrop.2011.07.024' Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
716. Journal:'Int. J. Electrochem. Sci' Year:'2011' Volume:'6' Page:'691' DOI:'' Title:'Chemical Composition and Inhibitory Effect of Mentha Spicata Essential Oil on the Corrosion of Steel in Molar Hydrochloric Acid'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us