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 >
Presilphiperfol-7-ene
ScientificNameLabel
Presilphiperfol-7-ene
PHCD compound ID :
992
Chemical Names :
Presilphiperfol-7-ene
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
Smiles:
C[C@@H]1CCC2=C3[C@@H]1CC[C@@]3(C)CC2(C)C
InChi :
InChI=1S/C15H24/c1-10-5-6-12-13-11(10)7-8-15(13,4)9-14(12,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,15+/m1/s1
InChi Key :
InChIKey=PLHQUFSAXMJRAY-HFAKWTLXSA-N
PubChem ID :
91746704
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
8.739932
Hydrogen bond donor count :
0
Electric dipole moment :
0.355
XLogP :
5.545
VDW volume :
228.290393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.248000
Herb list :
Willd chamomile - Tripleurospermum disciforme - بابونه کاذب، بابونه دشتی
Refrences & Litretures:
98. Journal:'Chemistry of Natural Compounds' Year:'2008' Volume:'44' Page:'800' DOI:'' Title:'ESSENTIAL OIL COMPOSITION OF Tripleurospermum disciforme FROM IRAN'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us