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ScientificNameLabel
diepi-alpha-cedrene
PHCD compound ID : 3092
Chemical Names :
diepi-alpha-cedrene
Molecular Formula : C16H28
Molecular Weight : 220.219101
More Details :
Names & Synonyms: (1S,3aR,5S,8aR)-1,4,4,5,6,8a-hexamethyl-1,2,3,3a,5,8-hexahydroazulene
Smiles: CC1=CC[C@]2([C@@H](C([C@H]1C)(C)C)CC[C@@H]2C)C
InChi : InChI=1S/C16H28/c1-11-9-10-16(6)12(2)7-8-14(16)15(4,5)13(11)3/h9,12-14H,7-8,10H2,1-6H3/t12-,13-,14+,16+/m0/s1
InChi Key : InChIKey=WRWMRLUKBJPBOP-TTZDDIAXSA-N
PubChem ID : 101214175
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.038723
Hydrogen bond donor count : 0 Electric dipole moment : 0.470
XLogP : 7.506 VDW volume : 257.942837
Molecular weight : 220.219101 HOMO-LUMO gap : 10.547000
Herb list :
Refrences & Litretures:
  
406.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'10410'      DOI:'10.1021/jf102248j'      Title:'Essential Oils, Phenolics, and Antioxidant Activities of Different Parts of Cumin (Cuminum cyminum L.)'
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