DICL_CP_0328431 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0328431

PubChem CID

446284

Molecular Formula

C₂₀H₃₀O₂

Molecular Weight

302.458 g/mol

Synonyms/Alias

[Eicosapentaenoic acid; Timnodonic acid; Icosapent; 10417-94-4; Icosapentaenoic acid; EPA; cis-5;8;11;14;17-Eicosapentaenoic acid; Icosapento; Icosapentum; (5Z;8Z;11Z;14Z;17Z)-icosa-5;8;11;14;17-penta...[Eicosapentaenoic acid; Timnodonic acid; Icosapent; 10417-94-4; Icosapentaenoic acid; EPA; cis-5;8;11;14;17-Eicosapentaenoic acid; Icosapento; Icosapentum; (5Z;8Z;11Z;14Z;17Z)-icosa-5;8;11;14;17-pentaenoic acid; Miraxion; 5;8;11;14;17-EICOSAPENTAENOIC ACID; eicosapentaenoate; 5Z;8Z;11Z;14Z;17Z-Eicosapentaenoic acid; (all-Z)-5;8;11;14;17-Eicosapentaenoic acid; Icosapent [INN]; Eicosapentanoic acid; (5Z;8Z;11Z;14Z;17Z)-5;8;11;14;17-eicosapentaenoic acid; Eye Q; Eye-Q; Ropufa 70; Incromega e 7010sr; CCRIS 3279; AAN7QOV9EA; UNII-AAN7QOV9EA; EPA 45G; (5Z;8Z;11Z;14Z;17Z)-Eicosapentaenoic acid; 5;8;11;14;17-Icosapentaenoic acid; EPA [drug]; CHEBI:28364; (5Z;8Z;11Z;14Z;17Z)-Eicosapentaenoate; (5Z;8Z;11Z;14Z;17Z)-Icosapentaenoic acid; Icosapentum [INN-Latin]; Icosapento [INN-Spanish]; C20:5n-3;6;9;12;15; C20:5 (n-3); CHEMBL460026; DTXSID9041023; all-cis-5;8;11;14;17-icosapentaenoic acid; all-cis-5;8;11;14;17-eicosapentaenoic acid; all-cis-icosa-5;8;11;14;17-pentaenoic acid; Icosapent (INN); cis-Delta(5;8;11;14;17)-eicosapentaenoic acid; 5;8;11;14;17-Eicosapentaenoic acid; (all-Z)-; Eicosapentaenoic acid (c20:5 n3); EPA;Timnodonic acid; Icosapentaenoate; (all-Z)-delta5;8;11;14;17-Eicosapentaenoic acid; MFCD00065716; EPA (drug); cis-5;8;11;14;17-EPA; FA 20:5; NCGC00161344-03; 5;8;11;14;17-Eicosapentaenoic acid; (5Z;8Z;11Z;14Z;17Z)-; EICOSAPENTAENOIC ACID (20:5 n-3); Icosapentum (INN-Latin); Icosapento (INN-Spanish); all cis-5;8;11;14;17-Eicosapentaenoic Acid; Eicosa-5Z;8Z;11Z;14Z;17Z-pentaenoic Acid (20:5; n-3); (5Z;8Z;11Z;14Z;17Z)-icosapentaenoate; Timnodonate; 3gwx; RELIVEN; EPA-FFA; all-cis-icosapentaenoate; ICOSAPENT (EPA); all-cis-icosapentaenoic acid; SCHEMBL20469; BSPBio_001328; BML3-B01; GTPL3362; DTXCID7021023; EICOSAPENTAENOIC ACID [MI]; HMS1361C10; HMS1791C10; HMS1989C10; HMS3402C10; HMS3649D19; HY-B0660; 5;8;11;14;17-Icosapentaenoate; Tox21_111991; 5;8;11;14;17-Eicosapentaenoate; BDBM50242349; EICOSAPENTAENOIC ACID [VANDF]; LMFA01030759; s6476; EICOSAPENTAENOIC ACID [MART.]; AKOS027470327; EICOSAPENTAENOIC ACID [USP-RS]; EICOSAPENTAENOIC ACID [WHO-DD]; CCG-207957; CCG-208136; DB00159; cis-5;8;11;14;17-eicosapentaenoate; IDI1_033798; NCGC00161344-01; NCGC00161344-02; NCGC00161344-04; NCGC00161344-07; 5Z;8Z;11Z;14Z;17Z-Eicosapentaenoate; AC-31072; AS-53730; CAS-10417-94-4; E0441; NS00010730; 5;8;11;14;17-Eicosapentaenoic acid (6CI); all cis-5;8;11;14;17-Icosapentaenoic Acid; C06428; D08061; P16966; EN300-7403855; (all-cis)-5;8;11;14;17-Eicosapentaenoic acid; EICOSAPENTAENOIC ACID (EPA) (C20:5 N3); L001256; Q409990; SR-01000946647; FA(20:5(5Z;8Z;11Z;14Z;17Z)); J-001125; SR-01000946647-1; z;z;z;z;z-eicosa-5;8;11;14;17-pentaenoic acid; (Z;Z;Z;Z;Z)-5;8;11;14;17-eicosapentaenoic acid; BRD-K47192521-001-02-1; cis-5;8;11;14;17-Eicosapentaenoic acid; >=99%; 7F8BF016-B146-4F72-A52E-B9298BA3A9AB; C20H30O2 (cis-5;8;11;14;17-eicosapentaenoic acid); Eicosapentaenoic acid; 5;8;11;14;17-(Z;Z;Z;Z;Z)-; 5;8;11;14;17-Eicosapentaenoic acid; (all-Z)- (8CI); cis-5;8;11;14;17-Eicosapentaenoic acid; >=85%; liquid; cis-5;8;11;14;17-Eicosapentaenoic acid; analytical standard; (5Z;8Z;11 Z;14Z;17Z)-icosa-5;8;11;14;17-pentaenoic acid; (5Z;8Z;11Z;14Z;17Z)-eicosa-5;8;11;14;17-pentaenoic acid; cis; cis; cis; cis; cis-eicosa-5;8;11;14;17-pentaenoic acid; 5;8;11;14;17-Eicosapentaenoic acid; (5Z;8Z;11Z;14Z;17Z)- (9CI); 25377-48-4; cis-5;8;11;14;17-Eicosapentaenoic acid; 500 mug/mL in ethanol; certified reference material]

InChI Key

JAZBEHYOTPTENJ-JLNKQSITSA-N

InChI

InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-1...

IUPAC Name

(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid

CAS Number

10417-94-4

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

52 51 0 0 0 0 0 0 0 0999 V2000
-4.5098 -3.2207 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5837 -1.9002 0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0305 -0.776...

Download SDF File (4380 bytes)

Experimental Data

Activity Data

Target Ion Channel

Piezo1

Uniprot Accession Number

Q92508

Function

Inactive

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

No effect

Experimental Conditions

pH 7.3

Holding Potential

Not specified

Temperature

Room Temperature

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium imaging)

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1038/s41467-019-09055-7

URL

N/A (Not available)

PMID

30867417

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

5.9927

Complexity

95.9458

TPSA (Å²)

37.3

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties