chempirical

Licochalcone B

C16H14O5CAS 58749-23-8286.28 g/mol

Open in Covalent MOL file
OOOHHOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
Melting point
196–197 °C
logP
2.71Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
58749-23-8
SMILES
COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc(O)c1O
InChIKey
DRDRYGIIYOPBBZ-XBXARRHUSA-N
InChI
InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+

Weigh it out

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

Names and synonyms

3 names
  • 2-Propen-1-one, 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (2E)-
  • 2-Propen-1-one, 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-
  • (2E)-3-(3,4-Dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one

Work with Licochalcone B

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

Licochalcone A58749-22-752 % similar 4′-Hydroxychalcone2657-25-248 % similar 4-Hydroxychalcone20426-12-445 % similar 4,4′-Dimethoxychalcone2373-89-945 % similar 2-Hydroxychalcone644-78-044 % similar Xanthohumol6754-58-142 % similar Desmethoxycurcumin22608-11-342 % similar 4′-Methoxychalcone959-23-942 % 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 Isosakuranetin480-43-3 Guacetisal55482-89-8 p-Anisic anhydride794-94-5

Elsewhere

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