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ScientificNameLabel
Acorenone
PHCD compound ID : 435
Chemical Names :
Acorenone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1S,4S,5S)-4-isopropyl-1,8-dimethyl-spiro[4.5]dec-7-en-9-one , (1S,4S,5S)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]dec-7-enone , (1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one , (1S,4S,5S)-1,8-dimethyl-4-propan-2-yl-spiro[4.5]dec-7-en-9-one
Smiles: O=C1C[C@@]2(CC=C1C)[C@@H](C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1
InChi Key : InChIKey=HBTHUBMUAHAWBC-YDHLFZDLSA-N
PubChem ID : 12480741
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.727463
Hydrogen bond donor count : 0 Electric dipole moment : 3.666
XLogP : 4.992 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 9.842000
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'
28.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'390'      DOI:''      Title:'Comparison of Volatile Constituents of Acorus calamus and Asarum europaeum Obtained by Different Techniques'
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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'
297.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'4450'      DOI:'10.1007/s13197-014-1353-3'      Title:'Optimization of supercritical fluid extraction of essential oils and fatty acids from flixweed (Descurainia Sophia L.) seed using response surface methodology and central composite design'
386.      Journal:'International Journal of Antimicrobial Agents'      Year:'2008'      Volume:'31'      Page:'581'      DOI:'10.1016/j.ijantimicag.2008.02.005'      Title:'Antimicrobial activity of Inula helenium L. essential oil against Gram-positive and Gramnegative bacteria and Candida spp'
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