chempirical

Curcumin

C21H20O6CAS 458-37-7368.39 g/mol

Open in Covalent MOL file
OOOOHOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C21H20O6
Molar mass
368.39 g/mol
Exact mass
368.1260 Da
Melting point
183 °C
logP
3.37Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
458-37-7
SMILES
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIKey
VFLDPWHFBUODDF-FCXRPNKRSA-N
InChI
InChI=1S/C21H20O6/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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+

Weigh it out

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

Names and synonyms

54 names · show all
  • 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-
  • 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-
  • (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
  • C.I. 75300
  • C.I. Natural yellow 3
  • Curcuma
  • Haidr
  • Halad
  • Haldar
  • Halud
  • Indian saffron
  • Kacha haldi
  • Merita earth
  • Souchet
  • Terra merita
  • Turmeric yellow
  • Yellow ginger
  • Yellow root
  • Yo-kin
  • (E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
  • Diferuloylmethane
  • E 100 (Dye)
  • E 100
  • Trans,trans-Curcumin
  • Turmeric (dye)
  • Turmeric
  • Natural yellow 3
  • C Yellow 15
  • Ukon (dye)
  • Ukon
  • Curcumin I
  • Curcumine
  • San-ei curcumine AL
  • San-ei gen curcumine AL
  • NSC 32982
  • (E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
  • Jianghuangsu
  • Curcumin W
  • Colorant E 100
  • NanoCurc
  • Theracurmin
  • Biocurcumax
  • BR 213
  • INS 100i
  • Lipocurc
  • Natxtra
  • Vacurin
  • Cureit
  • Longvida
  • Curcumax
  • Kiriyasu oil yellow U
  • Theracurmin CR 011L
  • (E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione
  • Curcuma yellow

Work with Curcumin

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

Desmethoxycurcumin22608-11-388 % similar Dehydrozingerone1080-12-269 % similar Ferulic acid1135-24-669 % similar Ferulic acid537-98-469 % similar Methyl ferulate2309-07-167 % similar Ethyl ferulate4046-02-065 % similar Sodium ferulate24276-84-463 % similar Dihydrocurcumin76474-56-162 % similar

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

Same formula

Icaritin118525-40-9 β-Anhydroicaritin38226-86-7 Glycycoumarin94805-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia