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Dihydro-ar-turmerone
ScientificNameLabel
Dihydro-ar-turmerone
PHCD compound ID :
2944
Chemical Names :
Dihydro-ar-turmerone
Molecular Formula :
C15H22O1
Molecular Weight :
218.167065
More Details :
Names & Synonyms:
2-methyl-6-(p-tolyl)heptan-4-one , 2-methyl-6-(4-methylphenyl)-4-heptanone , 2-methyl-6-(4-methylphenyl)heptan-4-one
Smiles:
CC(CC(=O)C[C@@H](c1ccc(cc1)C)C)C
InChi :
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1
InChi Key :
InChIKey=FWSUEHMNQCROMJ-ZDUSSCGKSA-N
PubChem ID :
10921984
Rotatable bond count :
5
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.204317
Hydrogen bond donor count :
0
Electric dipole moment :
3.028
XLogP :
4.124
VDW volume :
242.984161
Molecular weight :
218.167065
HOMO-LUMO gap :
9.526000
Herb list :
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Refrences & Litretures:
372. Journal:'Food and Chemical Toxicology' Year:'2010' Volume:'48' Page:'1026' DOI:'10.1016/j.fct.2010.01.015' Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
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