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ScientificNameLabel
8-hydroxydihydro-sanguinarine
PHCD compound ID : 5165
Chemical Names :
8-hydroxydihydro-sanguinarine
Molecular Formula : C20H15N1O5
Molecular Weight : 349.095023
More Details :
Names & Synonyms: 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(22),15,17(21)-octaen-23-ol , 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(22),15,17(21)-octaen-23-ol
Smiles: O[C@@H]1c2c3OCOc3ccc2c2c(N1C)c1cc3OCOc3cc1cc2
InChi : InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m1/s1
InChi Key : InChIKey=YZRQUTZNTDAYPJ-HXUWFJFHSA-N
PubChem ID : 14313843
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.405699
Hydrogen bond donor count : 1 Electric dipole moment : 2.239
XLogP : 2.537 VDW volume : 281.493623
Molecular weight : 349.095023 HOMO-LUMO gap : 7.512000
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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