chempirical

Luteolin 4′-O-glucoside

C21H20O11CAS 6920-38-3448.38 g/mol

Open in Covalent MOL file
OOOOHOHOHHOOHOHOOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C21H20O11
Molar mass
448.38 g/mol
Exact mass
448.1006 Da
Melting point
178–179 °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
6920-38-3
SMILES
O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey
UHNXUSWGOJMEFO-QNDFHXLGSA-N
InChI
InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/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

10 names
  • 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-
  • Flavone, 3′,4′,5,7-tetrahydroxy-, 4′-β-D-glucopyranoside
  • Luteolin 4′-glucoside
  • Glucopyranoside, luteolin-4′, β-D-
  • 2-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Luteolin 4′-O-β-D-glucoside
  • Luteolin 4′-O-β-D-glucopyranoside
  • Juncein
  • 4′-β-D-Glucosylluteolin
  • 3′,4′,5,7-Tetrahydroxyflavone 4′-β-D-glucoside

Work with Luteolin 4′-O-glucoside

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

Diosmetin 7-O-β-D-glucoside20126-59-475 % similar Apigetrin578-74-572 % similar Nepitrin569-90-466 % similar Tilianin4291-60-566 % similar Saponarin20310-89-863 % similar Neodiosmin38665-01-963 % similar Homoplantaginin17680-84-162 % similar Isoquercetin482-35-961 % 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 Cynaroside5373-11-5

Elsewhere

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