Demethoxycurcumin
precursor
Showing entry for Demethoxycurcumin
Identification
- PhytoHub ID
- PHUB001674
- Name
- Demethoxycurcumin
- Systematic Name
- Demethoxycurcumin
- Synonyms
- Desmethoxycurcumin
- CAS Number
- Not Available
- Average Mass
- 338.359
- Monoisotopic Mass
- 338.11542368
- Chemical Formula
- C20H18O5
- IUPAC Name
- (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
- InChI Key
- HJTVQHVGMGKONQ-LUZURFALSA-N
- InChI Identifier
InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
- SMILES
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O
- Structure
Structure for Demethoxycurcumin
Calculated Properties
- Solubility (ALOGPS)
- 6.73e-03 g/l
- LogS (ALOGPS)
- -4.70
- LogP (ALOGPS)
- 3.54
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 7
- Polar Surface Area
- 83.83
- Refractivity
- 97.34740000000002
- Polarizability
- 35.351903201231735
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.477476498942375
- pKa (strongest acidic)
- 8.849461623816573
- 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 Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Diarylheptanoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Linear diarylheptanoids
- Direct Parent Name
- Curcuminoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Acryloyl compounds", "Alkyl aryl ethers", "Anisoles", "Beta-diketones", "Enones", "Hydrocarbon derivatives", "Hydroxycinnamic acids and derivatives", "Ketones", "Methoxybenzenes", "Methoxyphenols", "Organic oxides", "Phenoxy compounds", "Styrenes"]
- External Descriptor Annotations
- ["beta-diketone", "diarylheptanoid", "enone", "polyphenol"]
- Substituent Names
- ["1,3-dicarbonyl compound", "1,3-diketone", "1-hydroxy-2-unsubstituted benzenoid", "Acryloyl-group", "Alkyl aryl ether", "Alpha,beta-unsaturated ketone", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Carbonyl group", "Desmethoxycurcumin", "Enone", "Ether", "Hydrocarbon derivative", "Hydroxycinnamic acid or derivatives", "Ketone", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenol ether", "Phenoxy compound", "Styrene"]
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Demethoxycurcumin | Demethoxycurcumin | human | plasma, serum | unchanged | 3h-5h | 20-50 nmol/L | Not Available | C20H18O5 | 338.11542368 | Detailed Intervention Studies | Publications | ||
| Curcuminoids | Demethoxycurcumin | human | serum | gut microbiota metabolite | 1h-3h | <20 nmol/L | Not Available | C20H18O5 | 338.11542368 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Demethoxycurcumin | Demethoxycurcumin | Age | Effect, clusters | Publications | ||
| Demethoxycurcumin | Demethoxycurcumin | Sex | Effect, clusters | Publications |