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ScientificNameLabel
Alpha-allocryptopine
PHCD compound ID : 5175
Chemical Names :
Alpha-allocryptopine
Molecular Formula : C21H23N1O5
Molecular Weight : 369.157623
More Details :
Names & Synonyms: 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one , 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]heneicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one , 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
Smiles: COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2
InChi : InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
InChi Key : InChIKey=HYBRYAPKQCZIAE-UHFFFAOYSA-N
PubChem ID : 98570
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.811305
Hydrogen bond donor count : 0 Electric dipole moment : 3.665
XLogP : 1.283 VDW volume : 337.038984
Molecular weight : 369.157623 HOMO-LUMO gap : 8.637000
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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