chempirical

Cynaroside

C21H20O11CAS 5373-11-5448.38 g/mol

Open in Covalent MOL file
OOHOHOOOHOHOOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C21H20O11
Molar mass
448.38 g/mol
Exact mass
448.1006 Da
Melting point
258 °C
logP
-0.24Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
7 / 11
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
5373-11-5
SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIKey
PEFNSGRTCBGNAN-QNDFHXLGSA-N
InChI
InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
  • Luteolin, 7-β-D-glucopyranoside
  • 2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
  • Glucoluteolin
  • Luteoloside
  • Luteolin 7-β-D-glucoside
  • 7-Glucoluteolin
  • Luteolin 7-O-β-D-glucoside
  • Luteolin 7-glucoside
  • Cinaroside
  • 7-O-β-D-Glucosylluteolin
  • 3′,4′,5,7-Tetrahydroxyflavone 7-β-D-glucopyranoside
  • Luteolin 7-O-β-D-glucopyranoside
  • Nephrocizine
  • Nephrocizin
  • 7-(β-D-Glucosyloxy)-3′,4′,5-trihydroxyflavone
  • 3′,4′,5-Trihydroxyflavone 7-O-β-D-glucopyranoside
  • Luteolin 7-O-glucoside
  • Luteolin 7-O-β-glucopyranoside
  • Luteolin 7-O-β-glucoside
  • Luteolin-7-O-4C1-β-D-glucoside
  • Luteolin 7-O-glucopyranoside
  • Luteoline-7-glucoside

Work with Cynaroside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Apigetrin578-74-585 % similar Diosmetin 7-O-β-D-glucoside20126-59-482 % similar Veronicastroside25694-72-880 % similar Tilianin4291-60-580 % similar Luteolin 7-O-glucuronide29741-10-471 % similar Quercetin 7-O-glucoside491-50-970 % similar Luteolin 7-O-[2-(β-D-apiofuranosyl)-β-D-glucopyranoside]506410-53-370 % similar Nepitrin569-90-469 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Kaempferol 7-O-glucoside16290-07-6 Galuteolin20344-46-1 Quercetin 7-O-rhamnoside22007-72-3 Orientin28608-75-5 Isoorientin4261-42-1 Astragalin480-10-4 Quercitrin522-12-3 Luteolin 4′-O-glucoside6920-38-3

Elsewhere

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