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: 54
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
hexahydrofarnesyl
ScientificNameLabel
hexahydrofarnesyl
PHCD compound ID :
5276
Chemical Names :
hexahydrofarnesyl
Molecular Formula :
C15H32
Molecular Weight :
212.250401
More Details :
Names & Synonyms:
Smiles:
CC[C@@H](CCC[C@@H](CCCC(C)C)C)C
InChi :
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1
InChi Key :
InChIKey=YFHFHLSMISYUAQ-LSDHHAIUSA-N
PubChem ID :
Rotatable bond count :
9
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.533106
Hydrogen bond donor count :
0
Electric dipole moment :
0.161
XLogP :
8.692
VDW volume :
267.996228
Molecular weight :
212.250401
HOMO-LUMO gap :
14.587000
Herb list :
- Ephedra nebrodensis - ریش بز، ارمک
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Refrences & Litretures:
774. Journal:'Asian Journal of Chemistry' Year:'2011' Volume:'23' Page:'1940' DOI:'' Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
843. Journal:'Journal of Essential Oil Research' Year:'2010' Volume:'22' Page:'354' DOI:'10.1080/10412905.2010.9700344' Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us