2',4,4',6'-Tetrahydroxychalcone

HCID 5280960CAS 25515-46-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)cc1O
InChIKey
YQHMWTPYORBCMF-ZZXKWVIFSA-N
Molecular formula
C15H12O5
Average molar mass
272.25 g/mol
Monoisotopic mass
272.06847348

Overview

2',4,4',6'-tetrahydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. It has a role as a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a member of chalcones, a member of (E)-2'-hydroxy-chalcones and a polyphenol. It is functionally related to a trans-chalcone.

Names & identifiers

Preferred name
2',4,4',6'-Tetrahydroxychalcone
IUPAC
(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
English name
2',4,4',6'-Tetrahydroxychalcone
Molecular formula
C15H12O5
Molecular weight
272.25

Names & synonyms

naringenin chalconeChalconaringenin73692-50-9Isosalipurpol25515-46-22',4,4',6'-Tetrahydroxychalconetrans-2',4,4',6'-TetrahydroxychalconeYCF6Z24AS2CHEBI:154132'4'6'4-Tetrahydroxychalcone3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one(2E)-3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one
Show more names
Naringenin chalconcNaringenin chalconeNaringenin chalcone-RMNaringenin chalcone (Standard)1-(2,4,6-Trihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, (2E)-
DTXSID201025574RefChem:832073DTXCID701526072860-137-4Chalcononaringenin(E)-Naringenin chalcone(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

Database identifiers

CAS
25515-46-2、5071-40-9、73692-50-9
PubChem CID
5280960
DTXSID
DTXSID101043553
ChEMBL
CHEMBL338066
ChEBI
CHEBI:15413
UNII
YCF6Z24AS2
EC Number
860-137-4
Nikkaji
J16.987K、J258.627D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
98 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Melting Point184 °C
Physical DescriptionSolid

Physicochemical properties

Boiling point
538.7 · 538.7±50.0 °C(Predicted)
Density
1.483 · 1.483±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
6.94 · 6.94±0.40(Predicted)
Major Application
food and beverages
InChI
1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

wgk
WGK 3
Storage Class
11 - Combustible Solids

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

Usesfood and beverages

Suppliers26 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 2',4,4',6'-tetrahydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. It has a role as a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a polyphenol and a member of chalcones. It is functionally related to a trans-chalcone.

Related reactions

1 records
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Linked notes

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