chempirical

Tamarixetin

C16H12O7CAS 603-61-2316.27 g/mol

Open in Covalent MOL file
OOOHOHOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O7
Molar mass
316.27 g/mol
Exact mass
316.0583 Da
Melting point
259–260 °C
logP
2.29Crippen estimate
Polar surface area
120.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2

Identifiers

CAS number
603-61-2
SMILES
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O
InChIKey
FPLMIPQZHHQWHN-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

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Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
  • Flavone, 3,3′,5,7-tetrahydroxy-4′-methoxy-
  • Tamaraxetin
  • 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • 4′-Methylquercetin
  • Quercetin 4′-methyl ether
  • 3,3′,5,7-Tetrahydroxy-4′-methoxyflavone
  • 4′-O-Methylquercetin
  • 4′-Methoxyquercetin
  • 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Work with Tamarixetin

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 3,4′-dimethyl ether33429-83-380 % similar Kaempferide491-54-376 % similar Quercetin117-39-573 % similar Kaempferol520-18-369 % similar Quercetin dihydrate6151-25-369 % similar Myricetin529-44-267 % similar Rhamnocitrin569-92-666 % similar Galangin548-83-464 % similar

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

Same formula

Isorhamnetin480-19-3 Nepetin520-11-6 Rhamnetin90-19-7

Elsewhere

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