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: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Geranyl tiglate
ScientificNameLabel
Geranyl tiglate
PHCD compound ID :
5207
Chemical Names :
Geranyl tiglate , gerany ltiglate
Molecular Formula :
C15H24O2
Molecular Weight :
236.17763
More Details :
Names & Synonyms:
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , [(2
E
)-3,7-dimethylocta-2,6-dienyl] (
E
)-2-methylbut-2-enoate , (E)-2-methylbut-2-enoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles:
C/C=C(/C(=O)OC/C=C(/CCC=C(C)C)\C)\C
InChi :
InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
InChi Key :
InChIKey=OGHBUHJLMHQMHS-KRDNBFTESA-N
PubChem ID :
5367785
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.232014
Hydrogen bond donor count :
0
Electric dipole moment :
3.511
XLogP :
4.261
VDW volume :
275.030847
Molecular weight :
236.17763
HOMO-LUMO gap :
9.453000
Herb list :
Jerusalem oak - Chenopodium botrys - درمنه ترکی، سلمک اورشلیمی
Rose Geranium - Pelargonium graveolens - شمعدانی معطر، شمعدانی قرمز
Refrences & Litretures:
823. Journal:'Asian J Pharm Clin Res' Year:'2019' Volume:'12' Page:'124' DOI:'10.22159/ajpcr.2019.v12i1.28418' Title:'BIOACTIVITIES AND CHEMOPROFILING COMPARISONS OF CHENOPODIUM AMBROSIOIDES L. AND CHENOPODIUM BOTRYS L. GROWING IN KASHMIR, INDIA'
877. Journal:'Journal of Applied Pharmaceutical Science' Year:'2014' Volume:'4' Page:'1' DOI:'10.7324/JAPS.2014.40301' Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
878. Journal:'Iran J Microbiol' Year:'2012' Volume:'4' Page:'171' DOI:'' Title:'Antibacterial activity and composition of essential oils from Pelargonium graveolens L’Her and Vitex agnus-castus L'
879. Journal:'Journal of Essential Oil Research' Year:'2013' Volume:'25' Page:'372' DOI:'10.1080/10412905.2013.782476' Title:'Essential oil composition of Pelargonium graveolens L’Her ex Ait. cultivars harvested in different seasons'
880. Journal:'Phytother. Res' Year:'2013' Volume:'27' Page:'1206' DOI:'10.1002/ptr.4853' Title:'Chemical composition and biological activities of polar extracts and essential oil of rose-scented geranium, Pelargonium graveolens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us