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: 28
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Cis-Pinocamphone
ScientificNameLabel
Cis-Pinocamphone
PHCD compound ID :
1418
Chemical Names :
cis-Pinocamphenon , Cis-Pinocamphone
Molecular Formula :
C10H16O1
Molecular Weight :
152.120115
More Details :
Names & Synonyms:
(1S,2S,5R)-2,6,6-trimethylnorpinan-3-one , (1R,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanone , (1R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Smiles:
O=C1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
InChi :
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChi Key :
InChIKey=MQPHVIPKLRXGDJ-RNJXMRFFSA-N
PubChem ID :
84532
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.747104
Hydrogen bond donor count :
0
Electric dipole moment :
3.080
XLogP :
2.434
VDW volume :
162.957156
Molecular weight :
152.120115
HOMO-LUMO gap :
10.770000
Herb list :
- Iris nigrican - زنبق سیاه چرده
Erio yarrow - Achillea eriophora - بومادران
Hyssop - Hyssopus angustifolius - زوفا
Lime - Citrus aurantifolia - لیمو عمانی، لیمو ترش
Sweet wormwood - Artemisia annua - گندواش، درمنه خزری، درمنه یکساله
Tooth brush tree, Mustard-seed - Salvadora persica - چوج، درخت مسواک
Refrences & Litretures:
151. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'617' DOI:'10.1080/0972060X.2011.10643980' Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
394. Journal:'Industrial Crops and Products' Year:'2013' Volume:'43' Page:'427' DOI:'org/10.1016/j.indcrop.2012.07.028' Title:'Automated and standard extraction of antioxidant phenolic compounds of Hyssopus officinalis L. ssp. angustifolius'
395. Journal:'Journal of Essential Oil Bearing Plants' Year:'2009' Volume:'12' Page:'111' DOI:'10.1080/0972060X.2009.10643700' Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
659. Journal:'Industrial Crops and Products' Year:'2012' Volume:'37' Page:'479' DOI:'10.1016/j.indcrop.2011.07.024' Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
670. Journal:'Journal of Essential Oil Research' Year:'2014' Volume:'26' Page:'400' DOI:'10.1080/10412905.2014.964428' Title:'Antimicrobial activity and chemical composition of Citrus aurantifolia (Christm.) Swingle essential oil from Italian organic crops'
861. Journal:'Arabian Journal of Chemistry' Year:'2016' Volume:'9' Page:'S1190' DOI:'10.1016/j.arabjc.2012.01.003' Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
893. Journal:'Pharmaceutical Biology' Year:'2004' Volume:'42' Page:'577' DOI:'10.1080/13880200490901834' Title:'GC-MS Analysis and Antimicrobial Activity of the Essential Oil from the Stem of the Jordanian Toothbrush Tree Salvadora persica'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us