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ScientificNameLabel
Vanilin
PHCD compound ID : 907
Chemical Names :
Vanillin , Vanilin
Molecular Formula : C8H8O3
Molecular Weight : 152.047344
More Details :
Names & Synonyms: 4-hydroxy-3-methoxy-benzaldehyde , 4-hydroxy-3-methoxybenzaldehyde , 3-methoxy-4-oxidanyl-benzaldehyde
Smiles: COc1cc(C=O)ccc1O
InChi : InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChi Key : InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N
PubChem ID : 1183
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.949989
Hydrogen bond donor count : 1 Electric dipole moment : 2.661
XLogP : 0.589 VDW volume : 139.492722
Molecular weight : 152.047344 HOMO-LUMO gap : 8.288000
Herb list :
 
Clove - Eugenia caryophyllata - میخک هندی، میخک
Cutleaf teasel - Dipsacus laciniatus - خواجه‌ باشی
Egyptian willow - Salix aegyptiaca - بيدمشك
Golden rod, Wound-weed - Solidago virgaurea - علف طلائی
Great plantain, Waybread - Plantago major - بارهنگ كبير، بارهنگ
Henbane - Hyoscyamus niger - بذرالبنج، بنگ دانه
Mount atlas pistache - Pistacia atlantica - بنه، پسته کوهی
Oat, Woats - Avena sativa - جو دوسر، یولاف
Red pepper - Capsicum annuum - فلفل قرمز
Rice - Oryza sativa - برنج
Sweet almond, Bitter almond - Amygdalus communis - بادام تلخ، بادام شیرین
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Vanilla - Vanilla fragrans - وانیل
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
107.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'166'      DOI:'10.1016/j.jfca.2009.08.015'      Title:'Characterization of polyphenols, lipids and dietary ?bre from almond skins (Amygdalus communis L.)'
119.      Journal:'World Appl. Sci. J'      Year:'2011'      Volume:'17'      Page:'67'      DOI:''      Title:'GC-MS Analysis of Various Extracts from Leaf of Plantago major Used as Traditional Medicine'
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
148.      Journal:'Crop Protection'      Year:'2002'      Volume:'21'      Page:'913'      DOI:''      Title:'Screening of allelochemicals on barnyardgrass (Echinochloa crus-galli) and identi?cation of potentially allelopathic compounds from rice (Oryza sativa) variety hull extracts'
165.      Journal:'Journal of Chemistry'      Year:'2013'      Volume:''      Page:'126106'      DOI:'10.1155/2013/126106'      Title:'Chemical Composition of Iran’s Pistacia atlantica Cold-Pressed Oil'
185.      Journal:'Nutrition and Cancer'      Year:'2013'      Volume:'65'      Page:'1045'      DOI:'10.1080/01635581.2013.850966'      Title:'Anticarcinogenic Effects of the Ethanolic Extract of Salix aegyptiaca in Colon Cancer Cells: Involvement of Akt/PKB and MAPK Pathways'
186.      Journal:'Food Chemistry'      Year:'2009'      Volume:'116'      Page:'23'      DOI:'10.1016/j.foodchem.2009.01.092'      Title:'Comparative antioxidant activity of extracts from leaves, bark and catkins of Salix aegyptiaca sp'
271.      Journal:'J. Agric. Food Chem'      Year:'2002'      Volume:'50'      Page:'1890'      DOI:'10.1021/jf011222z'      Title:'Effects of Commercial Processing on Levels of Antioxidants in Oats (Avena sativa L.)'
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
707.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'967'      DOI:'10.1080/0972060X.2014.884779'      Title:'Chemical Composition, Antimicrobial andAntioxidant Activities of Eugenia caryophyllata Essential Oil'
739.      Journal:'J Sci Food Agric'      Year:'2000'      Volume:'80'      Page:'289'      DOI:'10.1002/1097-0010'      Title:'Vanilla flavour: production by conventional and biotechnological routes'
970.      Journal:'Biocatalysis and Agricultural Biotechnology'      Year:'2019'      Volume:'19'      Page:'101163'      DOI:'10.1016/j.bcab.2019.101163'      Title:'Datura innoxia and Dipsacus laciniatus: Biological activity and phenolic composition'
974.      Journal:'European Food Research and Technology'      Year:'2018'      Volume:'244'      Page:'1169'      DOI:'10.1007/s00217-018-3034-3'      Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
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