UCSF

ZINC03869608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 19 No

Popular Name: Isoliquiritigenin Isoliquiritigenin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 961-29-5 , [961-29-5]

Other Names:

(2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

(2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; 2',4',4-trihydroxychalcone; 2',4,4'-Trihydroxychalcone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-; 6'-deoxychalcone; C15H12O4; CCRIS 7676; Chalcone, 2',4,4'-trihydro

(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one; trans-2',4,4'-trihydroxychalcone

(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; 2',4,4'-Trihydroxychalcone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-; 4,2',4'-Trihydroxychalcone; Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-; BRN 1914295; EINECS 237-

1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one;2',4',4-Trihydroxychalcone;2',4'-Dihydroxy-3-(p-hydroxyphenyl)-Acrylophenone;2',4,4'-Trihydroxy-Chalcone;4,2',4'-Trihydroxychalcone;42'4'

2',4,4'-Trihydroxychalcone

2',4,4'-Trihydroxychalcone, 97%

4,2',4'-Trihydroxychalcone [961-29-5]; (Isoliquiritigenin)

4,2',4'-Trihydroxychalcone, 97% [961-29-5]; (Isoliquiritigenin; (Isoliquiritigenin)

42'4'-trihydroxychalcone; CPD-3041; isoliquiritigenin

961-29-5; C08650; Isoliquiritigenin

BRD-K33583600-001-04-7

CHEBI:43173; CHEBI:6022

ISLQ

iso-Liquiritigenin

MFCD00075907

N/A

QA-8514

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 2.1 -12.13 3 4 0 78 256.257 3 ↓
Hi High (pH 8-9.5) 2.77 2.87 -46.45 2 4 -1 81 255.249 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 185-187? Alfa-Aesar
Melting_Point 185-187° Alfa-Aesar
Melting_Point 185-188? Alfa-Aesar
M.P. 190-195 C Indofine
MP 190.5-194.9o C Indofine
ALOGPS_SOLUBILITY 5.51e-02 g/l DrugBank-experimental
UniProt Database Links 6DCS_SOYBN; CFI1_MEDSA; CHOMT_MEDSA; M3OM1_PEA; M3OM2_PEA; SIR1_HUMAN; SIR1_MOUSE; U73B2_ARATH ChEBI
Therapy aldose reductase inhibitor, antineoplastic, antiinflammatory SMDC MicroSource
Indications anticancer KeyOrganics Bioactives
Target Nitric oxide synthase, inducible(P35228)&Intercellular adhesion molecule 1(P05362)&Vascular cell adhesion protein 1(P19320)&Fibronectin(P02751)&Membrane-associated phosphatidylinositol transfer protein 1(O00562)&Integrin alpha-4(P13612)&Telomerase protein Herbal Ingredients Targets
Target Others Selleck Chemicals
SOLUBILITY Soluble in Methanol Indofine
APPEARANCE Yellow crystals Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 7800 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.37 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )