3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-2-PROPEN-1-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H12O5
Molecular Weight	272.2528
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-2-PROPEN-1-ONE

Structure Search

SMILES

OC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O)C(O)=C2)C=C1

InChI

InChIKey=BWFBUWODVNLGFS-ZZXKWVIFSA-N

InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(17)11-7-14(19)15(20)8-13(11)18/h1-8,16,18-20H/b6-3+

HIDE SMILES / InChI

Molecular Formula	C15H12O5
Molecular Weight	272.2528
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:57:26 GMT 2023` Edited by `admin` on `Sat Dec 16 15:57:26 GMT 2023`
Record UNII	TBB58K9NW4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-2-PROPEN-1-ONE

Systematic Name

English

2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-, (2E)-

Systematic Name

English

2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-(2,4,5-TRIHYDROXYPHENYL)-

Systematic Name

English

ISOLIQUIRITIGENIN METABOLITE M2

Common Name

English

Code System Code Type Description

CAS

1014976-78-3

Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023

PRIMARY

PUBCHEM

134138672

Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023

PRIMARY

FDA UNII

TBB58K9NW4

Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023

PRIMARY

CAS

2071711-38-9

Created by admin on Sat Dec 16 15:57:26 GMT 2023 , Edited by admin on Sat Dec 16 15:57:26 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

Related Record Type Details


					B9CTI9GB8F

TRIHYDROXYCHALCONE

PARENT -> METABOLITE

Comments:

IN VITRO

Interaction Type:

MINOR