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: 41
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Methyl pentadecanoate
ScientificNameLabel
Methyl pentadecanoate
PHCD compound ID :
1264
Chemical Names :
Pentadecanoic acid, methyl ester , Pentadecanoic acid, methyl ester(Pentadecanoic acid) , Methyl pentadecanoate , Pentadecanoic acid,methyl ester
Molecular Formula :
C16H32O2
Molecular Weight :
256.24023
More Details :
Names & Synonyms:
methyl pentadecanoate , pentadecanoic acid methyl ester
Smiles:
CCCCCCCCCCCCCCC(=O)OC
InChi :
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
InChi Key :
InChIKey=XIUXKAZJZFLLDQ-UHFFFAOYSA-N
PubChem ID :
23518
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
10.769021
Hydrogen bond donor count :
0
Electric dipole moment :
1.742
XLogP :
7.322
VDW volume :
300.236207
Molecular weight :
256.24023
HOMO-LUMO gap :
11.895000
Herb list :
Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ
Lovage - Levisticum officinale - انجدان
Red pepper - Capsicum annuum - فلفل قرمز
White mallow, Marsh-mallow - Althaea officinalis - ختمی
Refrences & Litretures:
132. Journal:'Phytother. Res' Year:'2007' Volume:'21' Page:'427' DOI:'10.1002/ptr.2077' Title:'In vitro Activities of Citrus medica L. cv. Diamante (Diamante citron) relevant to Treatment of Diabetes and Alzheimer’s disease'
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'
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'
596. Journal:'J. Essent. Oil Res' Year:'2008' Volume:'20' Page:'318' DOI:'10.1080/10412905.2008.9700022' Title:'Composition of the Essential Oil of Levisticum Offcinale W.D.J. Koch from Some European Countries'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us