Isoliquiritigenin

HCID 638278
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Grundinformationen

CAS
13745-20-5
Standard-SMILES
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O
InChIKey
DXDRHHKMWQZJHT-FPYGCLRLSA-N
Summenformel
C15H12O4
Durchschnittliche Molmasse
256,25 g/mol
Monoisotopische Masse
256,07355886

Überblick

Isoliquiritigenin is a member of the class of chalcones that is trans-chalcone hydroxylated at C-2', -4 and -4'. It has a role as a geroprotector, a metabolite, a biological pigment, an antineoplastic agent, a GABA modulator, an EC 1.14.18.1 (tyrosinase) inhibitor and a NMDA receptor antagonist. It is a member of chalcones and a member of (E)-2'-hydroxy-chalcones. It is functionally related to a trans-chalcone. It is a conjugate acid of an isoliquiritigenin(1-).

Namen und Bezeichner

Bevorzugter Name
Isoliquiritigenin
IUPAC
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Englischer Name
Isoliquiritigenin
Summenformel
C15H12O4
Molmasse
256.25

Namen und Synonyme

isoliquiritigenin961-29-5(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-onetrihydroxychalcone6'-deoxychalcone2',4',4-TrihydroxychalconeChalcone, 2',4,4'-trihydroxy-GU 17B9CTI9GB8FGU-17trans-2',4,4'-trihydroxychalcone2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-
Weitere Namen anzeigen
ISLISOLIQUIRTIGENIN4,2',4'-TRIHYDROXYCHALCONE(2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-onegu17IsoliquiritigenIsqliquiritigeninISOLIQUIRITIGENIN(P)Isoliquiritigenin>
DTXSID2022466(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenoneCHEBI:310312(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-oneRefChem:51351DTXCID202466677-489-82',4,4'-Trihydroxychalcone

Datenbank-Bezeichner

CAS
13745-20-5、961-29-5
PubChem CID
638278
DTXSID
DTXSID2022466
ChEMBL
CHEMBL129795
ChEBI
CHEBI:310312
UNII
B9CTI9GB8F
EC Number
237-316-5、677-489-8
Nikkaji
J120.923J、J74.686J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
77,8 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
19

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
LogP1.91
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point200 - 204 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
206 · 206-210°C
Siedepunkt
504 · 504.0±42.0 °C(Predicted)
Dichte
1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
2 O: · H2O: <0.1 mg/mL
Aggregatzustand
powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
hs_code
29145090
RTECS-Nr.
FL7080000
risk_code
36/37/38
safety_code
26-37
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Cellular LocationsMembrane

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
西安久启生物科技有限公司18729366352 13186100227

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