Ethyl α-eleostearate

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Description

Ethyl α-eleostearate is isolated from the ethanolic extract of Pseudo-nitzschia australis (PAEE) . The PAEE of Pseudomonas australis has anti-neuroinflammatory effects, inhibiting intracellular ROS as well as pro-inflammatory mediators and cytokines[1].

CAS Number

42021-86-3

UNSPSC

12352211

Hazard Statement

H225-H319

Target

Reactive Oxygen Species (ROS)

Type

Natural Products

Related Pathways

Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/ethyl-α-eleostearate.html

Solubility

10 mM in DMSO

Smiles

CCCC/C=C/C=C/C=C\CCCCCCCC(OCC)=O

Molecular Formula

C20H34O2

Molecular Weight

306.48

Precautions

P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P501

References & Citations

[1]Subermaniam K, et al. Malaysian brown macroalga Padina australis mitigates lipopolysaccharide-stimulated neuroinflammation in BV2 microglial cells. Iran J Basic Med Sci. 2023;26 (6) :669-679.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

9Z,11E,13E-Octadecatrienoic Acid ethyl ester

CAS Number	42021-86-3
PubChem CID	12430060
IUPAC Name	ethyl (9Z,11E,13E)-octadeca-9,11,13-trienoate
Molecular Formula	C20H34O2
Molecular Weight	306.5
XLogP	7.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	22
Formal Charge	0
Complexity	327

SMILES

CCCC/C=C/C=C/C=C\CCCCCCCC(=O)OCC

InChI

InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h7-12H,3-6,13-19H2,1-2H3/b8-7+,10-9+,12-11-

InChIKey

YVGCHYVFHLTZIM-CPIUXLSQSA-N

Chemical Structure

2D Structure

CAS: 42021-86-3

CID: 12430060

Formula: C20H34O2

MW: 306.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	306.5
XLogP3	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	306.255880323
Monoisotopic Mass	306.255880323
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Ethyl α-eleostearate

Chemical Information

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