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ScientificNameLabel
Caryophylladienol I
PHCD compound ID : 768
Chemical Names :
Caryophylladienol I
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (5R)-11,11-dimethyl-4,8-dimethylene-bicyclo[7.2.0]undecan-5-ol , (5R)-11,11-dimethyl-4,8-dimethylene-5-bicyclo[7.2.0]undecanol , (5R)-11,11-dimethyl-4,8-dimethylidenebicyclo[7.2.0]undecan-5-ol , (5R)-11,11-dimethyl-4,8-dimethylidene-bicyclo[7.2.0]undecan-5-ol
Smiles: O[C@@H]1CCC(=C)[C@H]2[C@H](CCC1=C)C(C2)(C)C
InChi : InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14+/m0/s1
InChi Key : InChIKey=CIIYOYPOMGIECX-MELADBBJSA-N
PubChem ID : 22212001
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.605862
Hydrogen bond donor count : 1 Electric dipole moment : 1.839
XLogP : 4.059 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.676000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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