Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2007-01-22 17:06:16 UTC
Update Date2021-10-13 04:47:24 UTC
HMDB IDHMDB0005789
Secondary Accession Numbers
  • HMDB05789
Metabolite Identification
Common NameTetrahydrocurcumin
DescriptionTetrahydrocurcumin (THC), is a product of bacterial or intestinal metabolism of curcumin (via the bacterial enzyme NADPH-dependent curcumin reductase). Curcumin is a yellow, polyphenolic pigment, derived from the rhizomes of a plant (Curcuma longa Linn). It is the principal curcuminoid of the popular Indian spice turmeric, which is a member of the ginger family and is a natural antioxidant exhibiting a variety of pharmacological activities and therapeutic properties. It has long been used as a traditional medicine and as a preservative and coloring agent in foods. In E. coli curcumin is a substrate for the enzyme NADPH-dependent curcumin reductase which catalyzes the metal-independent reduction of curcumin to dihydrocurcumin (DHC) as an intermediate product, followed by further reduction to tetrahydrocurcumin (THC) as an end product. Tetrahydrocurcumin (THC) exhibits many of the same physiologic and pharmacological activities as curcumin and in some systems may exert greater antioxidant activity than curcumin (PMID: 16061427 ).
Structure
Data?1582752365
Synonyms
ValueSource
1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedioneChEBI
Chemical FormulaC21H24O6
Average Molecular Weight372.4117
Monoisotopic Molecular Weight372.1572885
IUPAC Name1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
Traditional Nametetrahydrocurcumin
CAS Registry Number36062-04-1
SMILES
COC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O
InChI Identifier
InChI=1S/C21H24O6/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/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChI KeyLBTVHXHERHESKG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassDiarylheptanoids
Sub ClassLinear diarylheptanoids
Direct ParentCurcuminoids
Alternative Parents
Substituents
  • Curcumin
  • Gingerdione
  • Methoxyphenol
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Methoxybenzene
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • 1,3-diketone
  • Benzenoid
  • 1,3-dicarbonyl compound
  • Monocyclic benzene moiety
  • Ketone
  • Ether
  • Organooxygen compound
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point95 - 97 °CNot Available
Boiling Point564.07 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility9.43 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.728 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0056 g/LALOGPS
logP3.51ALOGPS
logP3.96ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)9.31ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area93.06 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity101.62 m³·mol⁻¹ChemAxon
Polarizability39.42 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+191.54531661259
DarkChem[M-H]-191.93831661259
DeepCCS[M+H]+184.82630932474
DeepCCS[M-H]-182.40930932474
DeepCCS[M-2H]-216.89830932474
DeepCCS[M+Na]+193.18830932474
AllCCS[M+H]+193.132859911
AllCCS[M+H-H2O]+190.132859911
AllCCS[M+NH4]+196.032859911
AllCCS[M+Na]+196.832859911
AllCCS[M-H]-192.032859911
AllCCS[M+Na-2H]-192.732859911
AllCCS[M+HCOO]-193.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TetrahydrocurcuminCOC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O5247.8Standard polar33892256
TetrahydrocurcuminCOC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O3137.0Standard non polar33892256
TetrahydrocurcuminCOC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O3184.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tetrahydrocurcumin,1TMS,isomer #1COC1=CC(CCC(=O)CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O3174.0Semi standard non polar33892256
Tetrahydrocurcumin,1TMS,isomer #2COC1=CC(CCC(=O)C=C(CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O3269.4Semi standard non polar33892256
Tetrahydrocurcumin,1TMS,isomer #3COC1=CC(CC=C(CC(=O)CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O3295.6Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #1COC1=CC(CCC(=O)CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[Si](C)(C)C3202.4Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #2COC1=CC(CCC(=CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O3244.2Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #3COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O3286.0Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #4COC1=CC(CCC(=O)CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O3272.5Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #5COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O3245.6Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #6COC1=CC(CC=C(C=C(CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3410.1Semi standard non polar33892256
Tetrahydrocurcumin,2TMS,isomer #7COC1=CC(CC=C(CC(=CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3354.7Semi standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #1COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3251.6Semi standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #1COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3072.8Standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #1COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3532.2Standard polar33892256
Tetrahydrocurcumin,3TMS,isomer #2COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3287.2Semi standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #2COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3095.0Standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #2COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3608.6Standard polar33892256
Tetrahydrocurcumin,3TMS,isomer #3COC1=CC(CCC(=CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3356.8Semi standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #3COC1=CC(CCC(=CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3192.2Standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #3COC1=CC(CCC(=CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3824.7Standard polar33892256
Tetrahydrocurcumin,3TMS,isomer #4COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3329.6Semi standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #4COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3269.2Standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #4COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3868.3Standard polar33892256
Tetrahydrocurcumin,3TMS,isomer #5COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3380.5Semi standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #5COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3192.3Standard non polar33892256
Tetrahydrocurcumin,3TMS,isomer #5COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O3795.2Standard polar33892256
Tetrahydrocurcumin,4TMS,isomer #1COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3385.0Semi standard non polar33892256
Tetrahydrocurcumin,4TMS,isomer #1COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3103.9Standard non polar33892256
Tetrahydrocurcumin,4TMS,isomer #1COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3517.5Standard polar33892256
Tetrahydrocurcumin,4TMS,isomer #2COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3357.5Semi standard non polar33892256
Tetrahydrocurcumin,4TMS,isomer #2COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3162.3Standard non polar33892256
Tetrahydrocurcumin,4TMS,isomer #2COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C3579.0Standard polar33892256
Tetrahydrocurcumin,1TBDMS,isomer #1COC1=CC(CCC(=O)CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O3455.2Semi standard non polar33892256
Tetrahydrocurcumin,1TBDMS,isomer #2COC1=CC(CCC(=O)C=C(CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O3565.0Semi standard non polar33892256
Tetrahydrocurcumin,1TBDMS,isomer #3COC1=CC(CC=C(CC(=O)CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O3580.4Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #1COC1=CC(CCC(=O)CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[Si](C)(C)C(C)(C)C3707.4Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #2COC1=CC(CCC(=CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O3777.5Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #3COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O3806.9Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #4COC1=CC(CCC(=O)CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O3819.4Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #5COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O3779.2Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #6COC1=CC(CC=C(C=C(CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3955.3Semi standard non polar33892256
Tetrahydrocurcumin,2TBDMS,isomer #7COC1=CC(CC=C(CC(=CCC2=CC=C(O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3895.7Semi standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #1COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3960.1Semi standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #1COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3606.2Standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #1COC1=CC(CCC(=O)C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3732.5Standard polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #2COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3999.9Semi standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #2COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3656.5Standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #2COC1=CC(CC=C(CC(=O)CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3799.4Standard polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #3COC1=CC(CCC(=CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O4125.8Semi standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #3COC1=CC(CCC(=CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3742.6Standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #3COC1=CC(CCC(=CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3974.6Standard polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #4COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O4073.6Semi standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #4COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3838.0Standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #4COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O4002.7Standard polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #5COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O4120.0Semi standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #5COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3743.7Standard non polar33892256
Tetrahydrocurcumin,3TBDMS,isomer #5COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O3945.8Standard polar33892256
Tetrahydrocurcumin,4TBDMS,isomer #1COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C4272.1Semi standard non polar33892256
Tetrahydrocurcumin,4TBDMS,isomer #1COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3761.7Standard non polar33892256
Tetrahydrocurcumin,4TBDMS,isomer #1COC1=CC(CC=C(C=C(CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3759.0Standard polar33892256
Tetrahydrocurcumin,4TBDMS,isomer #2COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C4251.4Semi standard non polar33892256
Tetrahydrocurcumin,4TBDMS,isomer #2COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3837.0Standard non polar33892256
Tetrahydrocurcumin,4TBDMS,isomer #2COC1=CC(CC=C(CC(=CCC2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C3809.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrocurcumin GC-MS (Non-derivatized) - 70eV, Positivesplash10-004r-0910000000-fa5f9c88947d04535eb32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrocurcumin GC-MS (2 TMS) - 70eV, Positivesplash10-0umr-9410140000-19c50b651dca5f38ec3c2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrocurcumin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrocurcumin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 10V, Negative-QTOFsplash10-00di-0109000000-cc999937febfc38f47c12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 20V, Negative-QTOFsplash10-00di-0639000000-3347b9d7105791a849f62015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 40V, Negative-QTOFsplash10-05ru-5986000000-5bfd0dc38ca2bb0b9efe2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 10V, Negative-QTOFsplash10-00di-1049000000-140fb262cdbb389db98d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 20V, Negative-QTOFsplash10-00ks-6962000000-30302cd971363baba3152021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 40V, Negative-QTOFsplash10-000i-3930000000-7ddc098840a9454746662021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 10V, Positive-QTOFsplash10-00di-0209000000-7dfd4c091aad667f4f262015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 20V, Positive-QTOFsplash10-00bi-0922000000-4172923a1d3dfd5cefd52015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 40V, Positive-QTOFsplash10-004r-1911000000-8ecd77e0bdc5eeb2914c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 10V, Positive-QTOFsplash10-00di-0219000000-9f478fd39c93a8ba25302021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 20V, Positive-QTOFsplash10-000i-0935000000-5253debe0acf5be8a7312021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrocurcumin 40V, Positive-QTOFsplash10-000i-1921000000-1003e2c392e655b3af0f2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified16.0 +/- 0.2 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB005352
KNApSAcK IDC00055176
Chemspider ID110569
KEGG Compound IDNot Available
BioCyc IDCPD-13315
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound124072
PDB IDNot Available
ChEBI ID67263
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1438081
References
Synthesis ReferenceLampe, W.; Smolinska, J. Ability of the two methyl groups of the quaternary base of 3,5-dimethylisoxazole to couple. III. Bull. acad. polon. sci., Ser. sci. chim., geol. et geograph (1958), 6 481-6.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Heath DD, Pruitt MA, Brenner DE, Begum AN, Frautschy SA, Rock CL: Tetrahydrocurcumin in plasma and urine: quantitation by high performance liquid chromatography. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Sep 25;824(1-2):206-12. [PubMed:16061427 ]