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: 7
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
epi-Cedrol
ScientificNameLabel
epi-Cedrol
PHCD compound ID :
3921
Chemical Names :
epi-Cedrol
Molecular Formula :
C15H26O1
Molecular Weight :
222.198365
More Details :
Names & Synonyms:
Smiles:
C[C@@H]1CC[C@@H]2[C@@]31CC[C@]([C@H](C3)C2(C)C)(C)O
InChi :
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
InChi Key :
InChIKey=SVURIXNDRWRAFU-MIBAYGRRSA-N
PubChem ID :
6713078
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
1
Ionization potential :
10.108510
Hydrogen bond donor count :
1
Electric dipole moment :
1.653
XLogP :
5.176
VDW volume :
239.717079
Molecular weight :
222.198365
HOMO-LUMO gap :
13.187000
Herb list :
Camphre - Cinnamomum camphora - کافور
Church steeple - Agrimonia eupatoria - غافث
Refrences & Litretures:
536. Journal:'Journal of Analytical Methods in Chemistry' Year:'2013' Volume:'' Page:'246986' DOI:'10.1155/2013/246986' Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
563. Journal:'??????' Year:'2009' Volume:'31' Page:'77' DOI:'' Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us