Identification

PhytoHub ID
PHUB001408
Name
Curcumin
Synonyms
  • Diferaloylmethane
CAS Number
458-37-7
Average Mass
368.3799
Monoisotopic Mass
368.125988372
Chemical Formula
C21H20O6
IUPAC Name
curcumin
InChI Key
VFLDPWHFBUODDF-FCXRPNKRSA-N
InChI Identifier
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+
SMILES
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
5.75e-03 g/l
LogS (ALOGPS)
-4.81
LogP (ALOGPS)
3.62
Hydrogen Acceptors
6
Hydrogen Donors
2
Rotatable Bond Count
8
Polar Surface Area
93.06
Refractivity
103.8106
Polarizability
38.12302565425179
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.355207917811037
pKa (strongest acidic)
9.061334054864934
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Taxonomy

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Curry powderHerbs and Spices PublicationsShow
TurmericHerbs and SpicesShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Curcumin Curcumin glucuronidehumanplasmaC27H28O12544.158076342 Publications
Curcumin Curcumin sulfatehumanplasmaC21H20O9S448.082803398 Publications
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