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ScientificNameLabel
Procerin
PHCD compound ID : 1801
Chemical Names :
Procerin
Molecular Formula : C15H18O2
Molecular Weight : 230.13068
More Details :
Names & Synonyms: 2-hydroxy-6-isopropenyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one , 2-hydroxy-5-(3-methylbut-2-enyl)-6-(1-methylethenyl)-1-cyclohepta-2,4,6-trienone , 2-hydroxy-5-(3-methylbut-2-enyl)-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one , 5-(3-methylbut-2-enyl)-2-oxidanyl-6-prop-1-en-2-yl-cyclohepta-2,4,6-trien-1-one
Smiles: CC(=CCc1ccc(c(=O)cc1C(=C)C)O)C
InChi : InChI=1S/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17)
InChi Key : InChIKey=JGONUWOERJCFMF-UHFFFAOYSA-N
PubChem ID : 594578
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.000403
Hydrogen bond donor count : 1 Electric dipole moment : 4.990
XLogP : 4.07 VDW volume : 257.401471
Molecular weight : 230.13068 HOMO-LUMO gap : 8.568000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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