Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 29
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Beta-chamigene
ScientificNameLabel
Beta-chamigene
PHCD compound ID :
1483
Chemical Names :
Beta-Chamigrene , Beta chamigrene , Beta-chamigene
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
(6R)-5,5,9-trimethyl-1-methylene-spiro[5.5]undec-9-ene , (6R)-5,5,9-trimethyl-1-methylenespiro[5.5]undec-9-ene , (6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene , (6R)-5,5,9-trimethyl-1-methylidene-spiro[5.5]undec-9-ene
Smiles:
CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C
InChi :
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1
InChi Key :
InChIKey=WLNGPDPILFYWKF-OAHLLOKOSA-N
PubChem ID :
442353
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
8.996715
Hydrogen bond donor count :
0
Electric dipole moment :
1.014
XLogP :
5.948
VDW volume :
238.010393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.479000
Herb list :
Camphre - Cinnamomum camphora - کافور
Cumin - Cuminum cyminum - زیره سبز
Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر
Hemp - Cannabis sativa - شاهدانه
Mugwort, Mugwood - Artemisia vulgaris - برنجاسف، درمنه معمولی
Nerium, Oleander - Nerium oleander - خرزهره
Valerian - Valeriana officinalis - سنبل الطیب، والرین، سنبل الطیب اروپایی
Refrences & Litretures:
159. Journal:'CHEMIJA' Year:'2006' Volume:'17' Page:'12' DOI:'' Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
306. Journal:'Int. J. Biol. Chem' Year:'2010' Volume:'4' Page:'190' DOI:'10.3923/ijbc.2010.190.202' Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
405. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'2004' Volume:'19' Page:'311' DOI:'10.1002/ffj.1302' Title:'Chemical composition of the essential oil of Cuminum cyminum L. from China'
450. Journal:'Journal of Chromatography A' Year:'2008' Volume:'1180' Page:'159' DOI:'10.1016/j.chroma.2007.12.011' Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
487. Journal:'Fitoterapia' Year:'2010' Volume:'81' Page:'413' DOI:'10.1016/j.?tote.2009.11.010' Title:'Characterization and antimicrobial activity of essential oils of industrial hemp varieties (Cannabis sativa L.)'
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'
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us