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ScientificNameLabel
Nootkatin
PHCD compound ID : 1062
Chemical Names :
Nootkatin
Molecular Formula : C15H20O2
Molecular Weight : 232.14633
More Details :
Names & Synonyms: 2-hydroxy-6-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one , 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-yl-1-cyclohepta-2,4,6-trienone , 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one , 5-(3-methylbut-2-enyl)-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
Smiles: CC(=CCc1ccc(c(=O)cc1C(C)C)O)C
InChi : InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17)
InChi Key : InChIKey=MNMNTZYOZZLKSV-UHFFFAOYSA-N
PubChem ID : 238797
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.905249
Hydrogen bond donor count : 1 Electric dipole moment : 4.568
XLogP : 4.183 VDW volume : 260.037929
Molecular weight : 232.14633 HOMO-LUMO gap : 8.368000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
710.      Journal:'Rev. Latinoamer. Qu?m'      Year:'2007'      Volume:'35'      Page:'47'      DOI:''      Title:'Chemical Constituents of Clove (Syzygium aromaticum, Fam. Myrtaceae) and their Antioxidant Activity'
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