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Aegeline

CAT: 0931-T7846-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T7846-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
456-12-2
Target
Antifungal
Related Pathways
Microbiology/Virology
Purity
0.9998
Bioactivity
Aegeline is an alkaloidal-amide, isolated from the leaves of Aegle marmelos and have shown antihyperglycemic as well as antidyslipidemic activities in the validated animal models of type 2 diabetes mellitus.
Smiles
COc1ccc(cc1)C(O)CNC(=O)\C=C\c1ccccc1
Molecular Formula
C18H19NO3
Molecular Weight
297.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+-)-Aegeline

(+/-)-Aegeline is a member of methoxybenzenes.

CAS Number456-12-2
PubChem CID15558419
IUPAC Name(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
Molecular FormulaC18H19NO3
Molecular Weight297.3
XLogP2.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity355
SMILES
COC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+
InChIKey
QRFDENJATPJOKG-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Aegeline
CAS: 456-12-2
CID: 15558419
Formula: C18H19NO3
MW: 297.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.3
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass297.13649347
Monoisotopic Mass297.13649347
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3611083-01Aegeline
HY-W042156R-01Aegeline (Standard)
162550Aegeline-d3
AR-A05710-01N-Nitroso Aegeline

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