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ScientificNameLabel
Calamenen-10-ol
PHCD compound ID : 4542
Chemical Names :
Calamenen-10-ol
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (1R,4R)-4-isopropyl-1,6-dimethyl-tetralin-1-ol , (1R,4R)-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol
Smiles: CC([C@H]1CC[C@@](c2c1cc(C)cc2)(C)O)C
InChi : InChI=1S/C15H22O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h5-6,9-10,12,16H,7-8H2,1-4H3/t12-,15-/m1/s1
InChi Key : InChIKey=MTOMOICLIZNIAM-IUODEOHRSA-N
PubChem ID : 91749818
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.042484
Hydrogen bond donor count : 1 Electric dipole moment : 1.776
XLogP : 3.507 VDW volume : 233.264161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.520000
Herb list :
Refrences & Litretures:
  
680.      Journal:'BIOLOGIJA'      Year:'2005'      Volume:'4'      Page:'53'      DOI:''      Title:'Chemical composition of essential oil and antimicrobial activity of Origanum vulgare'
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