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: 46
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Bractazonine
ScientificNameLabel
Bractazonine
PHCD compound ID :
3599
Chemical Names :
Bractazonine
Molecular Formula :
C19H23N1O3
Molecular Weight :
313.167794
More Details :
Names & Synonyms:
Smiles:
COc1ccc2c(c1)CCN(C)CCc1c2c(O)c(cc1)OC
InChi :
InChI=1S/C19H23NO3/c1-20-10-8-13-4-7-17(23-3)19(21)18(13)16-6-5-15(22-2)12-14(16)9-11-20/h4-7,12,21H,8-11H2,1-3H3
InChi Key :
InChIKey=MBLGPHJTZBIIBC-UHFFFAOYSA-N
PubChem ID :
11209201
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
8.507830
Hydrogen bond donor count :
1
Electric dipole moment :
1.861
XLogP :
1.45
VDW volume :
299.859479
Molecular weight :
313.167794
HOMO-LUMO gap :
8.769000
Herb list :
Great scarlet poppy - Papaver bracteatum - خشخاش طناز، خشخاش کبیر، خشخاش سیاه
Refrences & Litretures:
501. Journal:'Journal of Medicinal Plants' Year:'2015' Volume:'14' Page:'6' DOI:'' Title:'A Systematic Review on Main Chemical Constituents of Papaver bracteatum'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us