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 >
Portulacanones C
ScientificNameLabel
Portulacanones C
PHCD compound ID :
2637
Chemical Names :
Portulacanones C
Molecular Formula :
C18H18O6
Molecular Weight :
330.110338
More Details :
Names & Synonyms:
Smiles:
COc1c(OC)cc2c(c1O)C(=O)[C@H](CO2)Cc1ccccc1O
InChi :
InChI=1S/C18H18O6/c1-22-14-8-13-15(17(21)18(14)23-2)16(20)11(9-24-13)7-10-5-3-4-6-12(10)19/h3-6,8,11,19,21H,7,9H2,1-2H3/t11-/m0/s1
InChi Key :
InChIKey=PNZQBALBLRDICP-NSHDSACASA-N
PubChem ID :
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
6
Ionization potential :
9.083172
Hydrogen bond donor count :
2
Electric dipole moment :
2.323
XLogP :
1.487
VDW volume :
295.300955
Molecular weight :
330.110338
HOMO-LUMO gap :
8.823000
Herb list :
Common purslane - Portulaca oleracea - خرفه
Refrences & Litretures:
309. Journal:'BioMed Research International' Year:'2015' Volume:'' Page:'925631' DOI:'10.1155/2015/925631' Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us