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: 42
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Hexahydrofarnesol
ScientificNameLabel
Hexahydrofarnesol
PHCD compound ID :
5488
Chemical Names :
Hexahydrofarnesol
Molecular Formula :
C15H32O1
Molecular Weight :
228.245316
More Details :
Names & Synonyms:
3,7,11-trimethyldodecan-1-ol , 3,7,11-trimethyl-1-dodecanol
Smiles:
OCC[C@@H](CCC[C@@H](CCCC(C)C)C)C
InChi :
InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3/t14-,15-/m1/s1
InChi Key :
InChIKey=HDPUXESLSOZSIB-HUUCEWRRSA-N
PubChem ID :
138824
Rotatable bond count :
10
Rule of five :
1
Hydrogen bond acceptor count :
1
Ionization potential :
10.424139
Hydrogen bond donor count :
1
Electric dipole moment :
1.708
XLogP :
6.927
VDW volume :
276.786455
Molecular weight :
228.245316
HOMO-LUMO gap :
13.407000
Herb list :
Common dandelion - Taraxacum officinale - گل قاصدک
Refrences & Litretures:
921. Journal:'Evidence-Based Complementary and Alternative Medicine' Year:'2018' Volume:'' Page:'2706417' DOI:'10.1155/2018/2706417' Title:'Isolation and Identification of Compounds from Bioactive Extracts of Taraxacum officinale Weber ex F. H. Wigg. (Dandelion) as a Potential Source of Antibacterial Agents'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us