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: 38
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2-Tridecanone
ScientificNameLabel
2-Tridecanone
PHCD compound ID :
2829
Chemical Names :
2-Tridecanone , Tridecan-2-one
Molecular Formula :
C13H26O1
Molecular Weight :
198.198365
More Details :
Names & Synonyms:
tridecan-2-one , 2-tridecanone
Smiles:
CCCCCCCCCCCC(=O)C
InChi :
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChi Key :
InChIKey=CYIFVRUOHKNECG-UHFFFAOYSA-N
PubChem ID :
11622
Rotatable bond count :
10
Rule of five :
1
Hydrogen bond acceptor count :
1
Ionization potential :
10.108105
Hydrogen bond donor count :
0
Electric dipole moment :
3.151
XLogP :
5.559
VDW volume :
239.558027
Molecular weight :
198.198365
HOMO-LUMO gap :
11.053000
Herb list :
- Froriepia subpinnata - زلنگ
- Kelussia odoratissima - کلوس
Black cumin, Nutmeg flower, Fennel-flower, Roman coriander - Nigella sativa - سیاه دانه، شونیز
Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب
Hop - Humulus lupulus - رازک
Purging cassia, Drumstick tree - Cassia fistula - فلوس
Red pepper - Capsicum annuum - فلفل قرمز
Rue - Ruta graveolens - سداب
Turpentine tree - Pistacia terebinthus - پسته کوهی
Refrences & Litretures:
341. Journal:'Journal of Brewing and Distilling' Year:'2011' Volume:'2' Page:'16' DOI:'' Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
426. Journal:'Jordan Journal of Biological Sciences' Year:'2015' Volume:'8' Page:'139' DOI:'' Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
427. Journal:'Food Chemistry' Year:'2013' Volume:'141' Page:'253' DOI:'10.1016/j.foodchem.2013.03.007' Title:'Chemical composition and antimicrobial activity of the essential oils from four Ruta species growing in Algeria'
428. Journal:'World Appl. Sci. J' Year:'2009' Volume:'7' Page:'124' DOI:'' Title:'Volatile Composition of Ruta graveolens L. of North of Iran'
430. Journal:'Phytochemistry' Year:'2002' Volume:'61' Page:'573' DOI:'' Title:'Potential allelochemicals from the essential oil of Ruta graveolens'
456. Journal:'Journal of Essential Oil Bearing Plants' Year:'2013' Volume:'16' Page:'781' DOI:'10.1080/0972060X.2013.813275' Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459. Journal:'Flavour Fragr. J' Year:'2007' Volume:'22' Page:'148' DOI:'10.1002/ffj.1773' Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
460. Journal:'J Sci Food Agric' Year:'2005' Volume:'85' Page:'2297' DOI:'10.1002/jsfa.2255' Title:'Chemical constituents and antimicrobial and antioxidant potentials of essential oil and acetone extract of Nigella sativa seeds'
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'
548. Journal:'J. Essent. Oil Res' Year:'2007' Volume:'19' Page:'360' DOI:'10.1080/10412905.2007.9699305' Title:'Essential Oil from the Flowers and Leaves of Cassia fstula L'
634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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)'
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'
883. Journal:'Pharmaceutical Biology' Year:'2004' Volume:'42' Page:'360' DOI:'10.1080/13880200490519677' Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us