chempirical

Dimethylcurcumin

C23H24O6CAS 52328-98-0396.44 g/mol

Open in Covalent MOL file
OOOHOOO
AlkeneEtherKetone

Properties

Molecular formula
C23H24O6
Molar mass
396.44 g/mol
Exact mass
396.1573 Da
Melting point
129–130 °C
logP
4.46Crippen estimate
Polar surface area
74.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
9
Double bonds
E, Z, EE/Z, in SMILES order

Identifiers

CAS number
52328-98-0
SMILES
COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
InChIKey
ZMGUKFHHNQMKJI-CIOHCNBKSA-N
InChI
InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-

Weigh it out

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

Names and synonyms

6 names
  • 1,4,6-Heptatrien-3-one, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-, (1E,4Z,6E)-
  • 1,4,6-Heptatrien-3-one, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-, (Z,E,E)-
  • (1E,4Z,6E)-1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatrien-3-one
  • ASCJ 9
  • GO-Y 025
  • ASC-J 9

Work with Dimethylcurcumin

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

3,4-Dimethoxycinnamic acid14737-89-464 % similar 3′,4′-Dimethoxycinnamic acid2316-26-964 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-652 % similar Dihydrocurcumin76474-56-152 % similar Ferulic acid1135-24-650 % similar Isoferulic acid537-73-550 % similar Ferulic acid537-98-450 % similar Tranilast53902-12-849 % similar

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

Same formula

γ-Mangostin31271-07-5 Gartanin33390-42-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook