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ScientificNameLabel
Noroxyhydrastinine
PHCD compound ID : 5156
Chemical Names :
Noroxyhydrastinine
Molecular Formula : C10H9N1O3
Molecular Weight : 191.058243
More Details :
Names & Synonyms: 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one , 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one , 7,8-dihydro-6H-[1,3]dioxol[4,5-g]isoquinolin-5-one
Smiles: O=C1NCCc2c1cc1OCOc1c2
InChi : InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)
InChi Key : InChIKey=VSOJKDUWYQCWFM-UHFFFAOYSA-N
PubChem ID : 89047
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.022761
Hydrogen bond donor count : 1 Electric dipole moment : 4.587
XLogP : 0.347 VDW volume : 160.368534
Molecular weight : 191.058243 HOMO-LUMO gap : 8.495000
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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