TRIHYDROXYCHALCONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H12O4
Molecular Weight	256.2534
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TRIHYDROXYCHALCONE

Structure Search

SMILES

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

InChI

InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N

InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

HIDE SMILES / InChI

Molecular Formula	C15H12O4
Molecular Weight	256.2534
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 `Fri Dec 15 18:01:30 UTC 2023` Edited by `admin` on `Fri Dec 15 18:01:30 UTC 2023`
Record UNII	B9CTI9GB8F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIHYDROXYCHALCONE

Official Name

English

GU 17

Code

English

ILG

Brand Name

English

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

Systematic Name

English

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

Systematic Name

English

ISOLIQUIRITIGEN

Common Name

English

ISOLIQUIRITIGENIN

Common Name

English

CHALCONE, 2',4,4'-TRIHYDROXY-

Systematic Name

English

2',4,4'-TRIHYDROXYCHALCONE

Systematic Name

English

TRIHYDROXYCHALCONE [INCI]

Common Name

English

Code System Code Type Description

CAS

13745-20-5

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

638278

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

MESH

C040920

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

CHEBI

77948

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID2022466

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

FDA UNII

B9CTI9GB8F

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

EVMPD

SUB130946

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

CHEBI

310312

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

ECHA (EC/EINECS)

237-316-5

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

SMS_ID

100000156858

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

EU FOOD ADDITIVES

ISOLIQUIRITIGENIN

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

A group of neolignan lipid esters and phenolic compounds isolated from the roots and stolons of liquorice (Glycyrrhiza glabra) were found to have chemopreventive properties. Of these compounds, hispaglabridin B isoliquiritigenin, and paratocarpin B were found to be the most potent anti-oxidant agents (Chin et al. 2007).

CAS

961-29-5

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

DRUG BANK

DB03285

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

WIKIPEDIA

ISOLIQUIRITIGENIN

Created by admin on Fri Dec 15 18:01:31 UTC 2023 , Edited by admin on Fri Dec 15 18:01:31 UTC 2023

PRIMARY

Related Record Type Details


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE


					3318TFY23Q

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9

METABOLIC ENZYME -> SUBSTRATE


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Showed anti-HCV activity, with an IC50 of 3.7mg/mL.


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

A group of neolignan lipid esters and phenolic compounds isolated from the roots and stolons of liquorice (Glycyrrhiza glabra) were found to have chemopreventive properties. Of these compounds, hispaglabridin B isoliquiritigenin, and paratocarpin B were found to be the most potent anti-oxidant agents (Chin et al. 2007).


					O8F66201WM

PTEROCARPUS MARSUPIUM WOOD

PARENT -> CONSTITUENT ALWAYS PRESENT


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

isoliquiritigenin was tested for antithrombotic activity.

Related Record Type Details


					M6410VY6MI

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MAJOR


					X87DCB9GST

ISOLIQUIRITIGENIN GLUCURONIDE

METABOLITE -> PARENT

Comments:

IN VITRO


					SG5R9D9KEX

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-HYDROXY-2-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)PHENYL

METABOLITE -> PARENT

Comments:

IN VITRO


					4WVS5M0LGF

BUTEIN

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MAJOR


					TBB58K9NW4

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

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MINOR


					VUF4G2P7L7

4-O-GLUCURONYLISOLIQUIRITIGENIN

METABOLITE -> PARENT

Comments:

IN VITRO


					OML9B432G4

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MINOR


					CS1235I0WT

HISPIDOL

METABOLITE -> PARENT

Comments:

IN VITRO

Interaction Type:

MAJOR

Related Record Type Details


					B9CTI9GB8F

TRIHYDROXYCHALCONE

ACTIVE MOIETY