chempirical

Sakuranetin

C16H14O5CAS 2957-21-3286.28 g/mol

Open in Covalent MOL file
OOHOHOO
EtherKetonePhenol

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
Melting point
152 °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
2957-21-3
SMILES
COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
InChIKey
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
InChI
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/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

10 names
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-
  • Flavanone, 4′,5-dihydroxy-7-methoxy-, (S)-(-)-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)-
  • (2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • (S)-4′,5-Dihydroxy-7-methoxyflavanone
  • Naringenin 7-methyl ether
  • Naringenin 7-O-methyl ether
  • 7-O-Methylnaringenin
  • (-)-(S)-Sakuranetin
  • 5,4′-Dihydroxy-7-methoxyflavanone

Work with Sakuranetin

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

(-)-Pinostrobin480-37-581 % similar Naringenin480-41-174 % similar (±)-Naringenin67604-48-274 % similar (±)-Naringenin93602-28-974 % similar Hesperetin520-33-268 % similar (+)-Pinocembrin480-39-763 % similar Alpinetin36052-37-662 % similar Eriodictyol552-58-962 % similar

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

Same formula

Phenoxyacetic anhydride14316-61-1 (+)-Heraclenin2880-49-1 Brazilin474-07-7 Isosakuranetin480-43-3 Guacetisal55482-89-8 Licochalcone B58749-23-8 p-Anisic anhydride794-94-5

Elsewhere

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