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ScientificNameLabel
Osmaronin
PHCD compound ID : 2404
Chemical Names :
Osmaronin
Molecular Formula : C11H17N1O6
Molecular Weight : 259.105587
More Details :
Names & Synonyms: (Z)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile , (Z)-3-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-butenenitrile , (Z)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile , (Z)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-but-2-enenitrile , (Z)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-but-2-enenitrile
Smiles: OC[C@H]1O[C@@H](OC/C(=C\C#N)/C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1
InChi Key : InChIKey=DAVUWBZDLSJMFA-GMLQCYRESA-N
PubChem ID : 11032594
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 10.301297
Hydrogen bond donor count : 4 Electric dipole moment : 4.618
XLogP : -1.661 VDW volume : 242.284575
Molecular weight : 259.105587 HOMO-LUMO gap : 9.951000
Herb list :
Refrences & Litretures:
  
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
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