Neophytadiene

ScientificNameLabel

Neophytadiene
PHCD compound ID :	631
Chemical Names :	Neophytadiene , Neophytadienea , Neophytadienen , 2,6,10-trimethyl,14-ethylene-14-pentadecne
Molecular Formula :	C20H38
Molecular Weight :	278.297351

More Details :

Names & Synonyms:	7,11,15-trimethyl-3-methylene-hexadec-1-ene , 7,11,15-trimethyl-3-methylene-1-hexadecene , 7,11,15-trimethyl-3-methylidenehexadec-1-ene , 7,11,15-trimethyl-3-methylidene-hexadec-1-ene , 2-(4,8,12-trimethyltridecyl)buta-1,3-diene
Smiles:	C=CC(=C)CCC[C@H](CCC[C@@H](CCCC(C)C)C)C
InChi :	InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3/t19-,20-/m1/s1
InChi Key :	InChIKey=NIDGCIPAMWNKOA-WOJBJXKFSA-N
PubChem ID :	10446

Rotatable bond count :	13	Rule of five :	2
Hydrogen bond acceptor count :	0	Ionization potential :	9.496561
Hydrogen bond donor count :	0	Electric dipole moment :	0.562
XLogP :	10.595	VDW volume :	349.203234
Molecular weight :	278.297351	HOMO-LUMO gap :	9.941000

Herb list :

- Eryngium campestre - زول، بوقناق

- Froriepia subpinnata - زلنگ

- Kelussia odoratissima - کلوس

Cornelian cherry, Dogwood - Cornus mas - زغال اخته، ذغال اخته

Dill - Anethum graveolens - شوید، شبت

Fig - Ficus carica - انجیر، شال انجیر

Golden rod, Wound-weed - Solidago virgaurea - علف طلائی

Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر

Maidenhair - Adiantum capillus-veneris - پرسياوش، پرسیاوشیان، پرسیاوشان

Nettle, Stinging nettle - Urtica dioica - گزنه دو پایه، گزنه

Red pepper - Capsicum annuum - فلفل قرمز

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Tobacco - Nicotina tabacum - تنباکو

Watercress - Nasturtium officinale - بولاغ اوتی، آب تره، علف چشمه، ترتیزک آبی

Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی

Refrences & Litretures:


36. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'316' DOI:'10.1080/0972060X.2010.10643827' Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
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'
176. Journal:'Natural Product Research' Year:'2012' Volume:'26' Page:'109' DOI:'10.1080/14786419.2010.534998' Title:'Volatile constituents and antioxidant activity of flowers, stems and leaves of Nasturtium officinale R. Br'
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'
264. Journal:'J. Agric. Food Chem' Year:'1990' Volume:'38' Page:'455' DOI:'' Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
265. Journal:'J. Agric. Food Chem' Year:'1988' Volume:'36' Page:'295' DOI:'' Title:'Green Leaf Headspace Volatiles from Nicotiana tabacum Lines of Different Trichome Morphology'
545. Journal:'Plant Foods Hum Nutr' Year:'2011' Volume:'66' Page:'261' DOI:'10.1007/s11130-011-0248-y' Title:'Comparative Study on the Chemical Composition, Antioxidant Properties and Hypoglycaemic Activities of Two Capsicum annuum L. Cultivars (Acuminatum small and Cerasiferum)'
546. Journal:'Food Chemistry' Year:'2007' Volume:'102' Page:'1096' DOI:'10.1016/j.foodchem.2006.06.047' Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
619. Journal:'Iranian Journal of Plant Physiology' Year:'2012' Volume:'2' Page:'339' DOI:'' Title:'Investigating the chemical composition of different parts extracts of bipod nettle Urtica dioica L. in Tonekabon region'
743. Journal:'Research Journal of Pharmacognosy' Year:'2014' Volume:'1' Page:'11' DOI:'' Title:'Antioxidant and antibacterial activities of the essential oils and extracts of Dorema ammoniacum roots and aerial parts'
755. Journal:'Experimental Parasitology' Year:'2012' Volume:'132' Page:'470' DOI:'org/10.1016/j.exppara.2012.09.010' Title:'Identification of chemical constituents and larvicidal activity of Kelussia odoratissima Mozaffarian essential oil against two mosquito vectors Anopheles stephensi and Culex pipiens (Diptera: Culicidae)'
795. Journal:'FARMACIA' Year:'2010' Volume:'58' Page:'594' DOI:'' Title:'CHEMICAL COMPOSITION OF THE VOLATILE OIL FROM DIFFERENT PLANT PARTS OF ANETHUM GRAVEOLENS L. (UMBELLIFERAE) CULTIVATED IN ROMANIA'
796. Journal:'Journal of Food Science' Year:'2005' Volume:'70' Page:'M208' DOI:'10.1111/j.1365-2621.2005.tb07190.x' Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
799. Journal:'Bangladesh J. Bot' Year:'2015' Volume:'44' Page:'159' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF ANETHUM GRAVEOLENS L'
802. Journal:'Journal of Essential Oil Bearing Plants' Year:'2006' Volume:'9' Page:'126' DOI:'10.1080/0972060X.2006.10643483' Title:'Constituents of Essential Oils of Apium graveolens L., Allium cepa L., and Voacanga africana Staph. from Nigeria'
857. Journal:'Journal of Essential Oil Research' Year:'2009' Volume:'21' Page:'127' DOI:'10.1080/10412905.2009.9700129' Title:'The Essential Oil Composition of Froriepia subpinnata (Ledeb.) Baill'
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'
907. Journal:'Chem. Biodiversity' Year:'2017' Volume:'14' Page:'e1700096' DOI:'10.1002/cbdv.201700096' Title:'Cytotoxic Essential Oils from Eryngium campestre and Eryngium amethystinum (Apiaceae) Growing in Central Italy'
976. Journal:'Journal of Essential Oil Research' Year:'2006' Volume:'18' Page:'46' DOI:'10.1080/10412905.2006.9699382' Title:'Volatile Oil-Bearing Flora of Siberia VIII: Essential Oil Composition and Antimicrobial Activity of Wild Solidago virgaurea L. from the Russian Altai'