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ScientificNameLabel
Alpha-acoradiene
PHCD compound ID : 806
Chemical Names :
Alpha-acoradiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S)-4-isopropyl-1,8-dimethyl-spiro[4.5]deca-3,9-diene , (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene , (1S)-1,8-dimethyl-4-propan-2-yl-spiro[4.5]deca-3,9-diene
Smiles: C[C@H]1CC[C@@]2(C=C1)[C@@H](C)CC=C2C(C)C
InChi : InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12-,13+,15+/m1/s1
InChi Key : InChIKey=XTISJFXWBIASHF-IPYPFGDCSA-N
PubChem ID : 6429151
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.097844
Hydrogen bond donor count : 0 Electric dipole moment : 0.515
XLogP : 6.757 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.294000
Herb list :
Refrences & Litretures:
  
56.      Journal:'Journal of Reports in Pharmaceutical Sciences'      Year:'2013'      Volume:'2'      Page:'90'      DOI:''      Title:'Essential Oil Composition of Ferula Assa-Foetida L. Fruits from Western Iran'
306.      Journal:'Int. J. Biol. Chem'      Year:'2010'      Volume:'4'      Page:'190'      DOI:'10.3923/ijbc.2010.190.202'      Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
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