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ScientificNameLabel
10-nor-calamenen-10-one
PHCD compound ID : 5275
Chemical Names :
10-nor-calamenen-10-one
Molecular Formula : C14H18O1
Molecular Weight : 202.135765
More Details :
Names & Synonyms: 4-isopropyl-6-methyl-tetralin-1-one , 6-methyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one , 6-methyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
Smiles: CC([C@@H]1CCC(=O)c2c1cc(C)cc2)C
InChi : InChI=1S/C14H18O/c1-9(2)11-6-7-14(15)12-5-4-10(3)8-13(11)12/h4-5,8-9,11H,6-7H2,1-3H3/t11-/m0/s1
InChi Key : InChIKey=KIZXBPVAPQXAMH-NSHDSACASA-N
PubChem ID : 6429078
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.539045
Hydrogen bond donor count : 0 Electric dipole moment : 4.026
XLogP : 3.417 VDW volume : 213.331718
Molecular weight : 202.135765 HOMO-LUMO gap : 9.219000
Herb list :
Refrences & Litretures:
  
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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