UCSF

ZINC04096258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 32 No

Popular Name: Cynaroside Cynaroside

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CAS Numbers: 5373-11-5 , [11/5/5373] , [5373-11-5]

Other Names:

2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 7-Glucoluteolin; 7-Glucosylluteolin; Cinaroside; Cynaroside; Luteolin 7-O-glucopyranoside

2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; 7-Glucoluteolin; 7-Glucosylluteolin; Cinaroside; Cynaroside; EINECS 226-365-8; Gl

5373-11-5; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; C03951; Luteolin 7-O-beta-D-glucoside; Luteolin 7-O-glucoside

7-Glucoluteolin;7-Glucosylluteolin;7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone;Cinaroside;Cynaroside;Daphneflavonoloside;Flavopurposide;Glucoluteolin;Luteolin 7-glucoside;Luteolin 7-O-beta-D-glucoside;Luteolin 7-O-glucoside;Luteoloside

7-O-beta-D-glucosyl-5,7,3',4'-tetrahydroxyflavone; LUTEOLIN-7-O-BETA-D-GLUCOSIDE; luteolin 7-O-beta-D-glucoside; luteolin 7-O-glucoside

CHEBI:25089; CHEBI:20779; CHEBI:6582; CHEBI:29061; CHEBI:12251

Cinaroside

Daphneflavonoloside

Flavopurposide

Glucoluteolin

Luteolin 7-b-glucoside

Luteolin 7-glucoside

luteolin 7-O-beta-D-glucoside

luteolin 7-O-beta-D-glucoside (1-)

luteolin 7-O-beta-D-glucoside (OK)

luteolin 7-O-beta-D-glucoside(1-)

Luteolin 7-O-D-glucoside

LUTEOLIN-7-GLUCOSIDE

Luteolin-7-O-glucoside

Luteolin-7-O-glucoside with HPLC

Luteolin-7-O-Glucoside with HPLC [5373-11-5]; (Cynaroside)

Luteolin-7-O-Glucoside [5373-11-5]; (Cynaroside)

Luteolin-7-O-glucoside, >90% [5373-11-5]

Luteoloside

MFCD06799436

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) 0.19 -7.45 -17.67 7 11 0 190 448.38 4 ↓
Hi High (pH 8-9.5) 0.19 -6.47 -66.86 6 11 -1 193 447.372 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 241-249o C Indofine
MP 247o C (d) Indofine
biological_use Antiischaemic agent IBScreen Bioactives
mechanism eNOS mRNA expression inducer IBScreen Bioactives
mechanism eNOS promoter IBScreen Bioactives IBScreen Bioactives
UniProt Database Links GBA3_HUMAN ChEBI
SOLUBILITY Soluble in Ethyl acetate:Formic acid:; Acetic acid (100:11:11) Indofine
SOLUBILITY Soluble in Ethyl acetate:formic acid:acetic acid (100:11:11) Indofine
SOLUBILITY Soluble in Ethylacetate/formic acid/Acetic acid/Water Indofine
biological_source Widespread in plants. The commonest of all flavone glycosides ZereneX Building Blocks
APPEARANCE Yellow powder Indofine
M.P. ~241-249 C Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 7000 0.23 Functional ≤ 10μM
Z80150-2-O H9c2 (Cardiomyoblast Cells) (cluster #2 Of 2), Other Other 5040 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80150 Z80150 H9c2 (Cardiomyoblast Cells) 5040 0.23 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 7000 0.23 Functional ≤ 10μM

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