3-HYDROXY-1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)PROPAN-1-ONE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O5
Molecular Weight	226.2259
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)PROPAN-1-ONE

Structure Search

SMILES

COC1=CC(=CC(OC)=C1O)C(=O)CCO

InChI

InChIKey=UHOAHNLBCNGCHE-UHFFFAOYSA-N

InChI=1S/C11H14O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,12,14H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O5
Molecular Weight	226.2259
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:44:15 UTC 2023` Edited by `admin` on `Sat Dec 16 18:44:15 UTC 2023`
Record UNII	4DQC3X29PJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)PROPAN-1-ONE

Systematic Name

English

1-PROPENE-1,3-DIOL, 1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-

Systematic Name

English

1-PROPANONE, 3-HYDROXY-1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-

Systematic Name

English

1-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-PROPENE-1,3-DIOL

Systematic Name

English

3,4-DIHYDROXY-3-METHOXYPROPIOPHENONE

Common Name

English

3,4'-DIHYDROXY-3',5'-DIMETHOXYPROPIOPHENONE

Systematic Name

English

.BETA.-HYDROXYPROPIOSYRINGONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50710768

Created by admin on Sat Dec 16 18:44:15 UTC 2023 , Edited by admin on Sat Dec 16 18:44:15 UTC 2023

PRIMARY

PUBCHEM

54353627

Created by admin on Sat Dec 16 18:44:15 UTC 2023 , Edited by admin on Sat Dec 16 18:44:15 UTC 2023

PRIMARY

CAS

1826050-10-5

Created by admin on Sat Dec 16 18:44:15 UTC 2023 , Edited by admin on Sat Dec 16 18:44:15 UTC 2023

ALTERNATIVE

CAS

136196-47-9

Created by admin on Sat Dec 16 18:44:15 UTC 2023 , Edited by admin on Sat Dec 16 18:44:15 UTC 2023

PRIMARY

FDA UNII

4DQC3X29PJ

Created by admin on Sat Dec 16 18:44:15 UTC 2023 , Edited by admin on Sat Dec 16 18:44:15 UTC 2023

PRIMARY

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Comments:

1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL >40. In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL >5.

Amount: