chempirical

Dihydrocurcumin

C21H22O6CAS 76474-56-1370.40 g/mol

Open in Covalent MOL file
OHOOOHOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C21H22O6
Molar mass
370.40 g/mol
Exact mass
370.1416 Da
Melting point
179–180 °C
logP
3.77Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
8
Double bonds
E, ZE/Z, in SMILES order

Identifiers

CAS number
76474-56-1
SMILES
COc1cc(/C=C/C(O)=C/C(=O)CCc2ccc(O)c(OC)c2)ccc1O
InChIKey
BWHPKBOLJFNCPW-YJNULWIISA-N
InChI
InChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-13,22,24-25H,4,8H2,1-2H3/b7-3+,16-13-

Weigh it out

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

Names and synonyms

4 names
  • 4,6-Heptadien-3-one, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4Z,6E)-
  • 4,6-Heptadien-3-one, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-, (Z,E)-
  • (4Z,6E)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one
  • Letestuianin B

Work with Dihydrocurcumin

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

Curcumin458-37-762 % similar Dihydroferulic acid1135-23-557 % similar Ferulic acid1135-24-657 % similar Ferulic acid537-98-457 % similar Desmethoxycurcumin22608-11-356 % similar [6]-Shogaol555-66-856 % similar [8]-Shogaol36700-45-555 % similar [10]-Shogaol36752-54-255 % similar

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

Same formula

β,β-Dimethylacrylshikonin24502-79-2 (±)-Fargesin31008-19-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook