chempirical

Licochalcone C

C21H22O4CAS 144506-14-9338.40 g/mol

Open in Covalent MOL file
OOHOOH
AlkeneEtherKetonePhenol

Properties

Molecular formula
C21H22O4
Molar mass
338.40 g/mol
Exact mass
338.1518 Da
logP
4.51Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
144506-14-9
SMILES
CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)O)O)C
InChIKey
WBDNTJSRHDSPSR-KPKJPENVSA-N
InChI
InChI=1S/C21H22O4/c1-14(2)4-11-18-20(24)13-8-16(21(18)25-3)7-12-19(23)15-5-9-17(22)10-6-15/h4-10,12-13,22,24H,11H2,1-3H3/b12-7+

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Names and synonyms

1 names
  • Licochalconec

Work with Licochalcone C

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 B58749-23-866 % similar Licochalcone D144506-15-063 % similar Isobavachalcone20784-50-356 % similar Xanthohumol6754-58-155 % similar Echinatin34221-41-555 % similar Isobavachin31524-62-651 % similar Isoxanthohumol70872-29-649 % similar Glycycoumarin94805-82-046 % similar

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

Same formula

Bavachinin19879-30-2 4′-O-Methylbavachalcone20784-60-5 Licochalcone A58749-22-7 Bergamottin7380-40-7 8-Geranyloxypsoralen7437-55-0

Elsewhere

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