Skip Navigation Links
ScientificNameLabel
Chelerubine
PHCD compound ID : 5168
Chemical Names :
Chelerubine
Molecular Formula : C21H16N1O5
Molecular Weight : 362.102848
More Details :
Names & Synonyms:
Smiles: COc1cc2cc3OCOc3cc2c2c1c1ccc3c(c1cn2C)OCO3
InChi : InChI=1S/C21H16NO5/c1-22-8-14-12(3-4-15-21(14)27-10-24-15)19-18(23-2)6-11-5-16-17(26-9-25-16)7-13(11)20(19)22/h3-8H,9-10H2,1-2H3
InChi Key : InChIKey=PHUSQENOUIDSHU-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 7.310727
Hydrogen bond donor count : 0 Electric dipole moment : 2.134
XLogP : 3.437 VDW volume : 286.571378
Molecular weight : 362.102848 HOMO-LUMO gap : 6.567000
Herb list :
Refrences & Litretures:
  
819.      Journal:'Chemistry and Ecology'      Year:'2018'      Volume:'34'      Page:'582'      DOI:'10.1080/02757540.2018.1462345'      Title:'Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us