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ScientificNameLabel
Angoline
PHCD compound ID : 5178
Chemical Names :
Angoline
Molecular Formula : C22H21N1O5
Molecular Weight : 379.141973
More Details :
Names & Synonyms: 1,2,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine , 1,2,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Smiles: CO[C@@H]1c2c(ccc(c2OC)OC)c2c(N1C)c1cc3OCOc3cc1cc2
InChi : InChI=1S/C22H21NO5/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4/h5-10,22H,11H2,1-4H3/t22-/m1/s1
InChi Key : InChIKey=LVWAKZBZWYHYCJ-JOCHJYFZSA-N
PubChem ID : 189060
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.195131
Hydrogen bond donor count : 0 Electric dipole moment : 2.300
XLogP : 3.129 VDW volume : 328.442051
Molecular weight : 379.141973 HOMO-LUMO gap : 7.559000
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'
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