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ScientificNameLabel
Squalene
PHCD compound ID : 942
Chemical Names :
Squalene , Squalence , Trans-Squalene
Molecular Formula : C30H50
Molecular Weight : 410.391252
More Details :
Names & Synonyms: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Smiles: C/C(=C\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/CC/C=C(/CCC=C(C)C)\C
InChi : InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChi Key : InChIKey=YYGNTYWPHWGJRM-AAJYLUCBSA-N
PubChem ID : 638072
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 8.848781
Hydrogen bond donor count : 0 Electric dipole moment : 0.325
XLogP : 11.482 VDW volume : 511.617245
Molecular weight : 410.391252 HOMO-LUMO gap : 10.122000
Herb list :
 
- Anacyclus pyrethrum - عاقرقرحا
Aleppo senna, Jungle senna - Cassia Italica - سنای مکی، سناکوری، کروسه
Aloe - Aloe vera - صبر زرد
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Cornelian cherry, Dogwood - Cornus mas - زغال اخته، ذغال اخته
Globe thistle - Echinops robustus - شکرتیغال غول آسا
Golden rod, Wound-weed - Solidago virgaurea - علف طلائی
Jujube - Ziziphus jujuba - عناب
Liverwort, Common polypody, Wall fern - Polypodium vulgare - بسفایج
Maidenhair - Adiantum capillus-veneris - پرسياوش، پرسیاوشیان، پرسیاوشان
Pomegranate - Punica granatum - گلنار، انار
Red pepper - Capsicum annuum - فلفل قرمز
Rocket, Roquette - Eruca sativa - منداب
Saffron, Crocus - Crocus sativus - زعفران
Tarragon, Wild dragon - Artemisia dracunculus - ترخون
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
White mallow, Marsh-mallow - Althaea officinalis - ختمی
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'
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
447.      Journal:'Asian J Pharm Clin Res'      Year:'2012'      Volume:'2'      Page:'90'      DOI:'10.4103/0974-8490.147223'      Title:'GC-MS ANALYSIS OF CASSIA ITALICA LEAF METHANOL EXTRACT'
515.      Journal:'World J. Agric. Sci'      Year:'2009'      Volume:'5'      Page:'572'      DOI:''      Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'
533.      Journal:'Analyst'      Year:'2013'      Volume:'138'      Page:'6881'      DOI:'10.1039/c3an01478a'      Title:'Phytochemical analyses of Ziziphus jujuba Mill. var. spinosa seed by ultrahigh performance liquid chromatography-tandem mass spectrometry and gas chromatography-mass spectrometry'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
657.      Journal:'Journal of Natural Products'      Year:'2011'      Volume:'4'      Page:'71'      DOI:''      Title:'Chemical analysis of the essential oils from Punica granatum, Vitis vinifera and Cucurbita maxima seeds growing in Lebanon by GC/MS'
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
844.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'187'      DOI:'10.1002/ffj.1079'      Title:'Composition of the essential oil from the leaves of Eruca sativa'
903.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'646'      DOI:'10.1007/s10600-011-0020-4'      Title:'Constituent composition of essential oil from Cornus mas flowers'
911.      Journal:'Indian Journal of Pharmaceutical Education and Research'      Year:'2017'      Volume:'51'      Page:'S244'      DOI:'10.5530/ijper.51.3s.22'      Title:'Antimicrobial Activity and Chemical Composition Screening of Anacyclus pyrethrum Root'
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
951.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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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