chempirical

Quercetin 7-O-rhamnoside

C21H20O11CAS 22007-72-3448.38 g/mol

Open in Covalent MOL file
OOOHOOHOHOHOHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C21H20O11
Molar mass
448.38 g/mol
Exact mass
448.1006 Da
Melting point
174–175 °C
logP
0.49Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
7 / 11
Rotatable bonds
3
Stereocentres
S, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22007-72-3
SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
InChIKey
QPHXPNUXTNHJOF-XNFUJFQVSA-N
InChI
InChI=1S/C21H20O11/c1-7-15(25)17(27)19(29)21(30-7)31-9-5-12(24)14-13(6-9)32-20(18(28)16(14)26)8-2-3-10(22)11(23)4-8/h2-7,15,17,19,21-25,27-29H,1H3/t7-,15-,17+,19+,21-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-
  • Vincetoxicoside B
  • 7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
  • 7-Rhamnosylquercetin
  • Quercetin 7-rhamnoside
  • Quercetol 7-O-rhamnoside
  • Quercetin-7-α-L-rhamnoside
  • Sophoretin-3-O-α-L-rhamnoside

Work with Quercetin 7-O-rhamnoside

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

Quercetin 7-O-glucoside491-50-975 % similar Kaempferitrin482-38-271 % similar Rhamnetin90-19-762 % similar Myricitrin17912-87-762 % similar Rutin153-18-461 % similar Robinin301-19-961 % similar Rhodionin85571-15-961 % similar Afzelin482-39-360 % similar

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

Same formula

Kaempferol 7-O-glucoside16290-07-6 Galuteolin20344-46-1 Orientin28608-75-5 Isoorientin4261-42-1 Astragalin480-10-4 Quercitrin522-12-3 Cynaroside5373-11-5 Luteolin 4′-O-glucoside6920-38-3

Elsewhere

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