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: 58
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Tetrahydropalmatine
ScientificNameLabel
Tetrahydropalmatine
PHCD compound ID :
3603
Chemical Names :
Tetrahydropalmatine , Tetrahydropaimatine
Molecular Formula :
C21H25N1O4
Molecular Weight :
355.178358
More Details :
Names & Synonyms:
(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline , (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinoline
Smiles:
COc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC
InChi :
InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
InChi Key :
InChIKey=AEQDJSLRWYMAQI-KRWDZBQOSA-N
PubChem ID :
72301
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
8.703898
Hydrogen bond donor count :
0
Electric dipole moment :
1.595
XLogP :
1.646
VDW volume :
330.885216
Molecular weight :
355.178358
HOMO-LUMO gap :
8.841000
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'
502. Journal:'Journal of Ethnopharmacology' Year:'1981' Volume:'3' Page:'21' DOI:'' Title:'BIOLOGICAL ACTIVITY OF THE ALKALOIDS OF PAPAVER BRACTEATUM LINDL'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us