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ScientificNameLabel
caryophyllenyl alcohol
PHCD compound ID : 1719
Chemical Names :
caryophyllenyl alcohol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (3Z)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol , (3Z)-4,8,11,11-tetramethyl-5-bicyclo[7.2.0]undec-3-enol
Smiles: C[C@@H]1CC[C@H](O)C(=CC[C@@H]2[C@H]1CC2(C)C)C
InChi : InChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,10,12-14,16H,6-9H2,1-4H3/b11-5-/t10-,12+,13-,14+/m1/s1
InChi Key : InChIKey=QYGTVPFTIUUDSL-VMKPLRPNSA-N
PubChem ID : 91704770
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.218287
Hydrogen bond donor count : 1 Electric dipole moment : 1.773
XLogP : 4.935 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.453000
Herb list :
Refrences & Litretures:
  
194.      Journal:'J Nat Pharm Prod'      Year:'2015'      Volume:'10'      Page:'e21968'      DOI:'10.17795/jjnpp-21968'      Title:'Essential Oil of Arial Parts of Adiantum capillus-veneris: Chemical Composition and Antioxidant Activity'
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