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ScientificNameLabel
Dihydroberberine
PHCD compound ID : 5160
Chemical Names :
Dihydroberberine
Molecular Formula : C20H19N1O4
Molecular Weight : 337.131408
More Details :
Names & Synonyms: 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene , 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]heneicosa-1(21),2,4(8),9,15(20),16,18-heptaene , 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
Smiles: COc1c(OC)ccc2c1CN1CCc3c(C1=C2)cc1c(c3)OCO1
InChi : InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3
InChi Key : InChIKey=FZAGOOYMTPGPGF-UHFFFAOYSA-N
PubChem ID : 10217
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 7.612640
Hydrogen bond donor count : 0 Electric dipole moment : 3.121
XLogP : 2.643 VDW volume : 298.596314
Molecular weight : 337.131408 HOMO-LUMO gap : 7.047000
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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