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(E)-4-(Prop-1-en-2-yl)cyclohex-1-enecarbaldehyde oxime - 10mM in DMSO, high purity , CAS No.30950-27-7
Basic Description
Synonyms
Perillartine | 30950-27-7 | Peryllartine | Perilla sugar | (E)-4-(Prop-1-en-2-yl)cyclohex-1-enecarbaldehyde oxime | PERILLALDEHYDE, OXIME | 4-Isopropenyl-1-cyclohexene-1-carboxaldehyde, anti-oxime | 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, anti-oxime | 138-91-0 | 1-
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Menthane monoterpenoids
Alternative Parents
Monocyclic monoterpenoids Cyclohexene oximes Aldoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexene oxime - Aldoxime - Oxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(NE)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine
INCHI
InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
InChIKey
XCOJIVIDDFTHGB-YRNVUSSQSA-N
Smiles
CC(=C)C1CCC(=CC1)C=NO
Isomeric SMILES
CC(=C)C1CCC(=CC1)/C=N/O
Molecular Weight
165.23
Reaxy-Rn
3198382
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3198382&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.230 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
165.115 Da
Monoisotopic Mass
165.115 Da
Topological Polar Surface Area
32.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
228.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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