2,4,5-TRIHYDROXYBUTYROPHENONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O4
Molecular Weight	196.1999
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,5-TRIHYDROXYBUTYROPHENONE

Structure Search

SMILES

CCCC(=O)C1=CC(O)=C(O)C=C1O

InChI

InChIKey=SRUQARLMFOLRDN-UHFFFAOYSA-N

InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3

HIDE SMILES / InChI

Description
Sources: http://www.hmdb.ca/metabolites/HMDB0037177 | https://www.accessdata.fda.gov/scripts/cdrh/cfdocs/cfCFR/CFRSearch.cfm?fr=181.24

2,4,5-trihydroxybutyrophenone is an antioxidant, especially for fats and oils. Potential food packaging migration residue. 2,4,5-trihydroxybutyrophenone is on the FDA Code of Federal Regulations Title 21 list.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.	2001-02	11266322

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Comparable effects were induced when urea was added/removed in the presence of the phloretin-related phenol compounds 2,4,6-trihydroxyacetophenone (5mM) and 2,4,5-trihydroxybutyrophenone (5mM).

Name

Type

Language

NSC-73478

Preferred Name

English

2,4,5-TRIHYDROXYBUTYROPHENONE

Common Name

English

2',4',5'-TRIHYDROXYBUTYROPHENONE

Systematic Name

English

2,4,5-TRIHYDROXYBUTYROPHENONE [MI]

Common Name

English

THBP

Common Name

English

1-BUTANONE, 1-(2,4,5-TRIHYDROXYPHENYL)

Systematic Name

English

TRIHYDROXYBUTYROPHENONE

Systematic Name

English

2,4,5-TRIHYDROXYBUTYROPHENONE [HSDB]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.190