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ScientificNameLabel
Dihydrochelerubin
PHCD compound ID : 5181
Chemical Names :
Dihydrochelerubin
Molecular Formula : C21H17N1O5
Molecular Weight : 363.110673
More Details :
Names & Synonyms: 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaene , 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaene
Smiles: COc1cc2OCOc2c2c1c1ccc3c(c1N(C2)C)cc1c(c3)OCO1
InChi : InChI=1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3
InChi Key : InChIKey=JPXUJRDPZQUCNV-UHFFFAOYSA-N
PubChem ID : 440589
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.297796
Hydrogen bond donor count : 0 Electric dipole moment : 2.698
XLogP : 3.246 VDW volume : 298.789608
Molecular weight : 363.110673 HOMO-LUMO gap : 7.543000
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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