Dihydro-resveratrol
precursor
Showing entry for Dihydro-resveratrol
Identification
- PhytoHub ID
- PHUB001323
- Name
- Dihydro-resveratrol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 230.263
- Monoisotopic Mass
- 230.094294311
- Chemical Formula
- C14H14O3
- IUPAC Name
- 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
- InChI Key
- HITJFUSPLYBJPE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
- SMILES
OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.12e-02 g/l
- LogS (ALOGPS)
- -3.45
- LogP (ALOGPS)
- 2.45
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 60.69
- Refractivity
- 66.33890000000001
- Polarizability
- 24.844332473856483
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.442613297531203
- pKa (strongest acidic)
- 9.30352527101386
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Not Available
- Metabolite Class
- Not Available
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Stilbenes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Stilbenes
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols"]
- External Descriptor Annotations
- ["Bibenzyls", "Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "stilbenol"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene"]
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Red wine | Beverages, Alcoholic | Publications | Show | |
White wine | Beverages, Alcoholic | Publications | Show |
Food Sources of its Food Phytochemical(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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydro-resveratrol | Dihydro-resveratrol-3-O-glucuronide | Not Available | Not Available | host metabolism | Not Available | Not Available | Not Available | C20H22O9 | 406.126382288 | ||||
Dihydro-resveratrol | Dihydro-resveratrol-3-O-sulfate | Not Available | Not Available | host metabolism | Not Available | Not Available | Not Available | C14H14O6S | 310.051109345 | ||||
Dihydro-resveratrol | Dihydro-resveratrol sulfate | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C14H14O6S | 310.0511 | Publications | |||
Dihydro-resveratrol | Dihydro-resveratrol-glucuronide | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C20H22O9 | 406.1264 | Publications | |||
Piceid (trans-) | Dihydro-resveratrol | in vitro (rat) | gut microbiota | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O3 | 230.094294311 | Publications | |||
Resveratrol (trans-) | Dihydro-resveratrol | B. uniformis - ATCC 8492 (in vitro) E. lenta - ATCC 43055 (in vitro) human in vitro (human) pig rat | colon tissue, colorectal tissue, faeces, ileum tissue, liver, plasma, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O3 | 230.094294311 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available