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ScientificNameLabel
Alpha-Funebrene
PHCD compound ID : 428
Chemical Names :
Alpha-Funebrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: CC1=CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@H]3C
InChi : InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChi Key : InChIKey=IRAQOCYXUMOFCW-GUIRCDHDSA-N
PubChem ID : 6552024
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.958400
Hydrogen bond donor count : 0 Electric dipole moment : 0.387
XLogP : 6.597 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.431000
Herb list :
Refrences & Litretures:
  
26.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'5684'      DOI:'10.3390/molecules18055684'      Title:'Identification of Insecticidal Constituents of the Essential Oil of Acorus calamus Rhizomes against Liposcelis bostrychophila Badonnel'
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
101.      Journal:'Bull. Env. Pharmacol. Life Sci'      Year:'2014'      Volume:'3'      Page:'148'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Matricaria chamomilla'
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