chempirical

Isosakuranetin

C16H14O5CAS 480-43-3286.28 g/mol

Open in Covalent MOL file
OOOHOHO
EtherKetonePhenol

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
Melting point
192–193 °C
logP
2.81Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
480-43-3
SMILES
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1
InChIKey
HMUJXQRRKBLVOO-AWEZNQCLSA-N
InChI
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-, (2S)-
  • Flavanone, 5,7-dihydroxy-4′-methoxy-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-, (S)-
  • (2S)-2,3-Dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Citrifoliol
  • Naringenin-4′-methyl ether
  • 4′-Methylnaringenin
  • Ponciretin
  • 5,7-Dihydroxy-4′-methoxyflavanone
  • (S)-Isosakuranetin
  • Isosakuranetine
  • (2S)-5,7-Dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Work with Isosakuranetin

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

Naringenin480-41-178 % similar (±)-Naringenin67604-48-278 % similar (±)-Naringenin93602-28-978 % similar Hesperetin520-33-278 % similar (+)-Pinocembrin480-39-773 % similar Eriodictyol552-58-971 % similar (-)-Pinostrobin480-37-571 % similar Alpinetin36052-37-668 % similar

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

Same formula

Phenoxyacetic anhydride14316-61-1 (+)-Heraclenin2880-49-1 Sakuranetin2957-21-3 Brazilin474-07-7 Guacetisal55482-89-8 Licochalcone B58749-23-8 p-Anisic anhydride794-94-5

Elsewhere

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