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ScientificNameLabel
safrol
PHCD compound ID : 2431
Chemical Names :
Safrole , safrol
Molecular Formula : C10H10O2
Molecular Weight : 162.06808
More Details :
Names & Synonyms: 5-allyl-1,3-benzodioxole , 5-prop-2-enyl-1,3-benzodioxole , safrole
Smiles: C=CCc1ccc2c(c1)OCO2
InChi : InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChi Key : InChIKey=ZMQAAUBTXCXRIC-UHFFFAOYSA-N
PubChem ID : 5144
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.797540
Hydrogen bond donor count : 0 Electric dipole moment : 0.227
XLogP : 2.471 VDW volume : 152.938006
Molecular weight : 162.06808 HOMO-LUMO gap : 8.795000
Herb list :
Refrences & Litretures:
  
272.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2014'      Volume:'11'      Page:'1449'      DOI:''      Title:'Chemical Constituents and Activities of the Essential Oil from Myristica fragrans against Cigarette Beetle Lasioderma serricorne'
273.      Journal:'Journal of Genetic Engineering and Biotechnology'      Year:'2013'      Volume:'11'      Page:'25'      DOI:'10.1016/j.jgeb.2012.12.001'      Title:'Chemistry, antioxidant and antimicrobial potential of nutmeg (Myristica fragrans Houtt)'
274.      Journal:'Journal of Food Science'      Year:'2012'      Volume:'77'      Page:'C448'      DOI:'10.1111/j.1750-3841.2012.02618.x'      Title:'Extraction and Separation of Volatile and Fixed Oils from Seeds of Myristica fragrans by Supercritical CO2: Chemical Composition and Cytotoxic Activity on Caco-2 Cancer Cells'
275.      Journal:'J Sci Food Agric'      Year:'2012'      Volume:'92'      Page:'593'      DOI:'10.1002/jsfa.4613'      Title:'Chemical composition, antioxidant and cytotoxicity activities of the essential oils of Myristica fragrans and Morinda citrifolia'
276.      Journal:'Int. J. Mol. Sci'      Year:'2010'      Volume:'11'      Page:'4771'      DOI:'10.3390/ijms11114771'      Title:'Identification of Compounds in the Essential Oil of Nutmeg Seeds (Myristica fragrans Houtt.) That Inhibit Locomotor Activity in Mice'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
564.      Journal:'Braz. arch. biol. technol'      Year:'2000'      Volume:'43'      Page:'3'      DOI:'10.1590/S1516-89132000000300011'      Title:'Essential Oils of Camphor Tree (Cinnamomum camphora Nees & Eberm) Cultivated in Southern Brazil'
565.      Journal:'J. Essent. Oil Res'      Year:'2004'      Volume:'16'      Page:'200'      DOI:''      Title:'The Essential Oil of Cinnamomum camphora (L.) Nees and Eberm.—Variation in Oil Composition Throughout the Tree in Two Chemotypes from Eastern Australia'
566.      Journal:'J. Essent. Oil Res'      Year:'1993'      Volume:'5'      Page:'451'      DOI:'10.1080/10412905.1993.9698258'      Title:'The Essential Oil of Cinnamomum camphora (L.) Sieb. var. linaloolifera from Vietnam'
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
892.      Journal:'Tropical Journal of Pharmaceutical Research'      Year:'2014'      Volume:'13'      Page:'581'      DOI:'10.4314/tjpr.v13i4.14'      Title:'Effect of Phytohormones on the Composition of Sambucus ebulus Leaf Essential Oil'
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