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ScientificNameLabel
calacorene
PHCD compound ID : 3890
Chemical Names :
calacorene
Molecular Formula : C15H20
Molecular Weight : 200.156501
More Details :
Names & Synonyms: 4-isopropyl-1,6-dimethyl-1,2-dihydronaphthalene , 1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
Smiles: Cc1ccc2c(c1)C(=CC[C@H]2C)C(C)C
InChi : InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1
InChi Key : InChIKey=YLIAZCIBLKJTKN-GFCCVEGCSA-N
PubChem ID : 5315609
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.581415
Hydrogen bond donor count : 0 Electric dipole moment : 0.370
XLogP : 5.559 VDW volume : 221.837476
Molecular weight : 200.156501 HOMO-LUMO gap : 8.692000
Herb list :
Refrences & Litretures:
  
526.      Journal:'Comptes Rendus Biologies'      Year:'2002'      Volume:'325'      Page:'781'      DOI:''      Title:'Composition of the essential oils of Hypericum perforatum L. from southeastern France'
705.      Journal:'Phytother. Res'      Year:'2007'      Volume:'21'      Page:'501'      DOI:'10.1002/ptr.2124'      Title:'The Chemical Composition and Biological Activity of Clove Essential Oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): A Short Review'
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