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: 53
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Minit Furanone
ScientificNameLabel
Minit Furanone
PHCD compound ID :
1878
Chemical Names :
Minit Furanone , Mint furanone 2
Molecular Formula :
C10H14O2
Molecular Weight :
166.09938
More Details :
Names & Synonyms:
3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one , 3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
Smiles:
C[C@H]1CCC2=C(C(=O)O[C@H]2C1)C
InChi :
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9-/m0/s1
InChi Key :
InChIKey=VUVQBYIJRDUVHT-RCOVLWMOSA-N
PubChem ID :
94349
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
10.041703
Hydrogen bond donor count :
0
Electric dipole moment :
5.548
XLogP :
1.856
VDW volume :
169.110924
Molecular weight :
166.09938
HOMO-LUMO gap :
9.882000
Herb list :
Penny royal, Flea mint - Mentha pulegium - پونه معطر، خال واش، کوت کوتی
Refrences & Litretures:
221. Journal:'Journal of Food Biosciences and Technology' Year:'2015' Volume:'5' Page:'31' DOI:'' Title:'Chemical Composition of the Essential Oil of Mentha pulegium L. and its Antimicrobial Activity on Proteus mirabilis, Bacillus subtilis and Zygosaccharomyces rouxii'
224. Journal:'Industrial Crops and Products' Year:'2012' Volume:'36' Page:'81' DOI:'10.1016/j.indcrop.2011.08.011' Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us