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Isoliquiritigenin structure
Isoliquiritigenin structure

Isoliquiritigenin

Iupac Name:(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CAS No.: 961-29-5
Molecular Weight:256.257
Modify Date.: 2022-11-12 07:05
Introduction: aldose reductase inhibitor, antineoplastic, antiinflammatory View more+
1. Names and Identifiers
1.1 Name
Isoliquiritigenin
1.2 Synonyms

(2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, 4,2μ,4μ-Trihydroxychalcone (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (E)-2',4,4'-Trihydroxychalcone 2',4,4'-Trihydroxychalcone 2′,4,4′-Trihydroxychalcone 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)- 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)- 2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)- Chalcone, 2',4,4'-trihydroxy-(6CI,7CI,8CI) Chalcone, 2′,4,4′-trihydroxy- GU 17 gu17 Isoliquiritigen ISOLIQUIRITIGENIN(P) ISOLIQUIRITIGENIN(RG) Isoliquiritigenin,4,2',4'-Trihydroxychalcone ISOLIQUIRTEGENIN (2',4,4'-TRIHYDROXYCHAL Isqliquiritigenin

1.3 CAS No.
961-29-5
1.4 CID
638278
1.5 EINECS(EC#)
237-316-5
1.6 Molecular Formula
C15H12O4 (isomer)
1.7 Inchi
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+
1.8 InChkey
DXDRHHKMWQZJHT-FPYGCLRLSA-N
1.9 Canonical Smiles
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
1.10 Isomers Smiles
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O
2. Properties
3.1 Density
1.384
3.1 Melting point
206-210°C
3.1 Boiling point
504 °C at 760 mmHg
3.1 Refractive index
1.715
3.1 Flash Point
504 °C at 760 mmHg
3.1 Precise Quality
256.07400
3.1 PSA
77.76000
3.1 logP
2.69950
3.1 Solubility
H2O: <0.1?mg/mL
3.2 Appearance
powder
3.3 Storage
Keep Cold. Hygroscopic. Light Sensitive.
3.4 Chemical Properties
Yellow solid
3.5 Color/Form
Orange powder
3.6 Physical
Solid
3.7 pKa
7.50±0.35(Predicted)
3.8 Water Solubility
H2O: <0.1?mg/mL
3.9 StorageTemp
2-8°C
3. Use and Manufacturing
4.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
4.2 Usage
aldose reductase inhibitor, antineoplastic, antiinflammatory
4. Safety and Handling
5.1 Risk Statements
36/37/38
5.1 Safety Statements
26-37
5.1 WGK Germany
3
5.1 RTECS
FL7080000
5.1 Safety
WGK Germany:3
5.2 Sensitive
Light Sensitive & Hygroscopic
5.3 Specification

usageEng:Isoliquiritigenin (ISL) is a flavonoid found in licorice root and several other plants that displays antioxidant, anti-inflammatory, and antitumor activities as well as hepatoprotection against steatosis-induced oxidative stress. ISL induces quinone reduc
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 BRN
1914296
9.1 Chemical Properties
Yellow solid
9.2 Uses
aldose reductase inhibitor, antineoplastic, antiinflammatory
9.3 Uses
Isoliquiritigenin (ISL) is a flavonoid found in licorice root and several other plants that displays antioxidant, anti-inflammatory, and antitumor activities as well as hepatoprotection against steatosis-induced oxidative stress. ISL induces quinone reduc
9.4 Anticancer Research
It is extracted from Dipteryx odorata seeds, found to be active in induction of quininereductase, and thus prevents chemical carcinogenesis. In a dose- and time-dependentmanner, it significantly inhibits the proliferation of prostate cancer cells,and this isoliquiritigenin-induced cell cycle arrest and antiproliferative effects maybe manifested by growth arrest- and DNA damage-inducible gene 153 (GADD153).It induces apoptosis in prostate cancer cells through mitochondrial apoptosispathway in which mitochondrial membrane potential is disrupted, cytochrome-cand Smac/Diablo are released, and caspase-9 is activated. It is reported to enhancethe expression of universal inhibitor of cyclin-dependent kinases, p21CIP1/WAF1, in adose- and time-dependent manner in A549 human lung cancer cells (Kanazawaet al. 2003; Ii et al. 2004; Balunas and Kinghorn 2005; Jung et al. 2006).
10. Computational chemical data
  • Molecular Weight: 256.257g/mol
  • Molecular Formula: C15H12O4
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.2
  • Exact Mass: 256.07355886
  • Monoisotopic Mass: 256.07355886
  • Complexity: 331
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 77.8
  • Heavy Atom Count: 19
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASAmAAwBoAAAgCIAqBSAAACAAAkIAAIiAEGCMgIJzaCFRKAcUAl4BUImYeI7KTOIAAACAAIAABAAAAQABAAAAAAAAAAAA==
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