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ScientificNameLabel
Norchelidonine
PHCD compound ID : 5161
Chemical Names :
Norchelidonine
Molecular Formula : C19H17N1O5
Molecular Weight : 339.110673
More Details :
Names & Synonyms: (1R,12R,13S)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol , (1R,12R,13S)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
Smiles: O[C@@H]1Cc2cc3OCOc3cc2[C@H]2[C@@H]1c1ccc3c(c1CN2)OCO3
InChi : InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m1/s1
InChi Key : InChIKey=DBJHCHBDQALOAS-XWIAVFTESA-N
PubChem ID : 57396731
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.763738
Hydrogen bond donor count : 2 Electric dipole moment : 3.160
XLogP : 0.459 VDW volume : 280.370556
Molecular weight : 339.110673 HOMO-LUMO gap : 8.597000
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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