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ScientificNameLabel
Lutonarin 3’-methyl ether
PHCD compound ID : 2399
Chemical Names :
Lutonarin 3’-methyl ether
Molecular Formula : C28H32O16
Molecular Weight : 624.169035
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)c2ccc(c(c2)OC)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C28H32O16/c1-40-13-4-9(2-3-10(13)31)12-5-11(32)18-14(41-12)6-15(43-28-26(39)24(37)21(34)17(8-30)44-28)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27+,28-/m1/s1
InChi Key : InChIKey=OIGSSDJKYJBKMU-RYOINGAGSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.074524
Hydrogen bond donor count : 10 Electric dipole moment : 7.670
XLogP : -1.773 VDW volume : 528.813692
Molecular weight : 624.169035 HOMO-LUMO gap : 7.832000
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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