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Oleraceins E
PHCD compound ID : 2648
Chemical Names :
Oleraceins E
Molecular Formula : C12H13N1O3
Molecular Weight : 219.089543
More Details :
Names & Synonyms: (10bR)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one , (10bR)-8,9-bis(oxidanyl)-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one , (10bR)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrol[2,1-a]isoquinolin-3-one
Smiles: O=C1CC[C@H]2N1CCc1c2cc(c(c1)O)O
InChi : InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m1/s1
InChi Key : InChIKey=LJIDRFNRDLYHNC-SECBINFHSA-N
PubChem ID : 54597686
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.805530
Hydrogen bond donor count : 2 Electric dipole moment : 2.372
XLogP : 0.46 VDW volume : 194.960504
Molecular weight : 219.089543 HOMO-LUMO gap : 8.539000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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