chempirical

Tangeretin

C20H20O7CAS 481-53-8372.37 g/mol

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Ether

Properties

Molecular formula
C20H20O7
Molar mass
372.37 g/mol
Exact mass
372.1209 Da
Melting point
154 °C
logP
3.50Crippen estimate
Polar surface area
76.4 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
6

Identifiers

CAS number
481-53-8
SMILES
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1
InChIKey
ULSUXBXHSYSGDT-UHFFFAOYSA-N
InChI
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3

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

Names and synonyms

9 names
  • 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-
  • Flavone, 4′,5,6,7,8-pentamethoxy-
  • 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Ponkanetin
  • 5,6,7,8,4′-Pentamethoxyflavone
  • 4′,5,6,7,8-Pentamethoxyflavone
  • Tangeritin
  • NSC 53909
  • NSC 618905

Work with Tangeretin

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

Nobiletin478-01-372 % similar 3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone112448-39-266 % similar 5,7,4′-Trimethoxyflavone5631-70-959 % similar 5-Demethylnobiletin2174-59-658 % similar Pectolinarigenin520-12-758 % similar Wogonin632-85-955 % similar Acacetin480-44-454 % similar 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-151 % similar

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

Same formula

Isosinensetin17290-70-9 Sinensetin2306-27-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia