OLEOCANTHAL, (±)-

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H20O5
Molecular Weight	304.3377
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of OLEOCANTHAL, (±)-

Structure Search

SMILES

C\C=C(\C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1

InChI

InChIKey=VPOVFCBNUOUZGG-VVHNFQOZSA-N

InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-

HIDE SMILES / InChI

Molecular Formula	C17H20O5
Molecular Weight	304.3377
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:11:03 GMT 2025` Edited by `admin` on `Mon Mar 31 22:11:03 GMT 2025`
Record UNII	4BIE8LW022
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OLEOCANTHAL, (±)-

Common Name

English

HYEDA

Preferred Name

English

P-HPEA-EDA

Brand Name

English

4-HEXENOIC ACID, 4-FORMYL-3-(2-OXOETHYL)-, 2-(4-HYDROXYPHENYL)ETHYL ESTER

Systematic Name

English

(±)-OLEOCANTHAL

Common Name

English

Code System Code Type Description

CAS

1160497-76-6

Created by admin on Mon Mar 31 22:11:03 GMT 2025 , Edited by admin on Mon Mar 31 22:11:03 GMT 2025

ALTERNATIVE

CAS

151194-92-2

Created by admin on Mon Mar 31 22:11:03 GMT 2025 , Edited by admin on Mon Mar 31 22:11:03 GMT 2025

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FDA UNII

4BIE8LW022

Created by admin on Mon Mar 31 22:11:03 GMT 2025 , Edited by admin on Mon Mar 31 22:11:03 GMT 2025

PRIMARY

PUBCHEM

16681728

Created by admin on Mon Mar 31 22:11:03 GMT 2025 , Edited by admin on Mon Mar 31 22:11:03 GMT 2025

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EPA CompTox

DTXSID701341888

Created by admin on Mon Mar 31 22:11:03 GMT 2025 , Edited by admin on Mon Mar 31 22:11:03 GMT 2025

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