precursor
Showing entry for Dihydro-resveratrol
Identification
- PhytoHub ID
- PHUB001323
- Name
- Dihydro-resveratrol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 230.2592
- Monoisotopic Mass
- 230.094294314
- Chemical Formula
- C14H14O3
- IUPAC Name
- dihydroresveratrol
- 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
- 66.3389
- Polarizability
- 24.867194788712546
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.442613297531204
- pKa (strongest acidic)
- 9.30352527101386
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Red wine | Beverages, Alcoholic | Publications | Show | |
White wine | Beverages, Alcoholic | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Dihydro-resveratrol | Dihydro-resveratrol-3-O-glucuronide | Not Available | Not Available | C20H22O9 | 406.126382288 | |||
Dihydro-resveratrol | Dihydro-resveratrol-3-O-sulfate | Not Available | Not Available | C14H14O6S | 310.051109345 | |||
Dihydro-resveratrol | Dihydro-resveratrol sulfate | rat | plasma | C14H14O6S | 310.0511 | Publications | ||
Dihydro-resveratrol | Dihydro-resveratrol-glucuronide | rat | plasma | C20H22O9 | 406.1264 | Publications | ||
Piceid (trans-) | Dihydro-resveratrol | in vitro (rat) | gut microbiota | C14H14O3 | 230.094294314 | 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 | C14H14O3 | 230.094294314 | Publications |