chempirical

Liquiritin

C21H22O9CAS 551-15-5418.40 g/mol

Open in Covalent MOL file
OOOOHOHHOHOOHO
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C21H22O9
Molar mass
418.40 g/mol
Exact mass
418.1264 Da
Melting point
208 °C
logP
0.28Crippen estimate
Polar surface area
145.9 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4
Stereocentres
S, S, R, S, S, 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
551-15-5
SMILES
O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)Oc2cc(O)ccc21
InChIKey
DEMKZLAVQYISIA-ZRWXNEIDSA-N
InChI
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-
  • 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (S)-
  • (2S)-2-[4-(β-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
  • 7-Hydroxyflavanone 4′-O-glucoside
  • Liquiritoside
  • 4′,7-Dihydroxyflavanone 4′-β-D-glucoside
  • Likviritin
  • 4′,7-Dihydroxyflavanone 4′-β-D-glucopyranoside
  • Liquiritigenin 4′-β-D-glucopyranoside

Work with Liquiritin

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

Liquiritin apioside74639-14-868 % similar Liquiritigenin578-86-963 % similar Flavanomarein577-38-859 % similar 7-Hydroxyflavanone6515-36-258 % similar Arbutin497-76-757 % similar α-Arbutin84380-01-857 % similar Hesperetin 7-glucoside31712-49-956 % similar Naringin10236-47-256 % similar

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

Same formula

Barbaloin1415-73-2 Aloin B28371-16-6 Isoliquiritin5041-81-6 Barbaloin5133-19-7 Aloin8015-61-0

Elsewhere

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