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: 43
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Cappariside
ScientificNameLabel
Cappariside
PHCD compound ID :
4164
Chemical Names :
Cappariside
Molecular Formula :
C6H6O4
Molecular Weight :
142.026609
More Details :
Names & Synonyms:
Smiles:
OC(=O)c1coc(c1O)C
InChi :
InChI=1S/C6H6O4/c1-3-5(7)4(2-10-3)6(8)9/h2,7H,1H3,(H,8,9)
InChi Key :
InChIKey=FZNMBBPKZSTVOR-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
9.255320
Hydrogen bond donor count :
2
Electric dipole moment :
4.021
XLogP :
0.826
VDW volume :
116.327438
Molecular weight :
142.026609
HOMO-LUMO gap :
8.870000
Herb list :
Caper - Capparis spinosa - کبر، لگجی، علف مار، کور
Refrences & Litretures:
579. Journal:'Int J Diabetol Vasc Dis Res' Year:'2015' Volume:'3' Page:'99' DOI:'10.19070/2328-353X-1500020' Title:'Pharmacological Properties of Capparis spinosa Linn'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us