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ScientificNameLabel
14-Hydroxy-cis-caryophyllene
PHCD compound ID : 1797
Chemical Names :
14-Hydroxy-cis-caryophyllene
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms:
Smiles: OC[C@@H]1CCC[C@H]([C@H]2[C@@H](C=C1)C(C2)(C)C)C
InChi : InChI=1S/C15H26O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h7-8,11-14,16H,4-6,9-10H2,1-3H3/b8-7-/t11-,12-,13+,14-/m1/s1
InChi Key : InChIKey=GMTOMMKQRBMRFT-RJKBMTRCSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.559095
Hydrogen bond donor count : 1 Electric dipole moment : 2.210
XLogP : 5.427 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.564000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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