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ScientificNameLabel
Alpha-Duprezianene
PHCD compound ID : 3362
Chemical Names :
Alpha-Duprezianene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: CC1=C[C@]23CC[C@@H]1C([C@@H]3CC[C@H]2C)(C)C
InChi : InChI=1S/C15H24/c1-10-9-15-8-7-12(10)14(3,4)13(15)6-5-11(15)2/h9,11-13H,5-8H2,1-4H3/t11-,12+,13+,15-/m1/s1
InChi Key : InChIKey=RXIZECQHNGXURN-UKTARXLSSA-N
PubChem ID : 101985700
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.091094
Hydrogen bond donor count : 0 Electric dipole moment : 0.483
XLogP : 6.399 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.535000
Herb list :
Refrences & Litretures:
  
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
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