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: 38
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Cyclo(L-tyrosinyl-L-tyrosinyl)
ScientificNameLabel
Cyclo(L-tyrosinyl-L-tyrosinyl)
PHCD compound ID :
2657
Chemical Names :
Cyclo(L-tyrosinyl-L-tyrosinyl)
Molecular Formula :
C18H18N2O4
Molecular Weight :
326.126657
More Details :
Names & Synonyms:
(3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione , (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-quinone
Smiles:
O=C1N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H]1Cc1ccc(cc1)O
InChi :
InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1
InChi Key :
InChIKey=NGPCLOGFGKJCBP-HOTGVXAUSA-N
PubChem ID :
11267350
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
6
Ionization potential :
9.318550
Hydrogen bond donor count :
4
Electric dipole moment :
3.199
XLogP :
0.48
VDW volume :
297.077563
Molecular weight :
326.126657
HOMO-LUMO gap :
9.065000
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