octahydrocurcumin
Showing entry for octahydrocurcumin
Identification
- PhytoHub ID
- PHUB002275
- Name
- octahydrocurcumin
- Systematic Name
- Octahydrocurcumin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 376.449
- Monoisotopic Mass
- 376.188588622
- Chemical Formula
- C21H28O6
- IUPAC Name
- 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
- InChI Key
- OELMAFBLFOKZJD-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C21H28O6/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/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3
- SMILES
COC1=CC(CCC(O)CC(O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O
- Structure
Structure for octahydrocurcumin
Calculated Properties
- Solubility (ALOGPS)
- 1.32e-02 g/l
- LogS (ALOGPS)
- -4.46
- LogP (ALOGPS)
- 2.55
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 10
- Polar Surface Area
- 99.38000000000001
- Refractivity
- 103.5848
- Polarizability
- 41.81186808956666
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.725858104017634
- pKa (strongest acidic)
- 9.976033076010715
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Miscellaneous polyphenol metabolites
- Sub-class
- Curcuminoid metabolites
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Curcuminoids | Polyphenols | Miscellaneous polyphenols | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Curcuminoids | octahydrocurcumin | human | plasma | gut microbiota metabolite | 8h-12h | <20 nmol/L | Not Available | C21H28O6 | 376.188588622 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|