Dihydro-resveratrol-3-O-glucuronide
Showing entry for Dihydro-resveratrol-3-O-glucuronide
Identification
- PhytoHub ID
- PHUB001413
- Name
- Dihydro-resveratrol-3-O-glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 406.387
- Monoisotopic Mass
- 406.126382288
- Chemical Formula
- C20H22O9
- IUPAC Name
- 3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid
- InChI Key
- NXXGJRZWYCYPCB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C20H22O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-9,15-18,20-25H,1-2H2,(H,26,27)
- SMILES
OC1C(O)C(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)OC(C1O)C(O)=O
- Structure
Structure for Dihydro-resveratrol-3-O-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 6
- Polar Surface Area
- 156.91
- Refractivity
- 98.35069999999997
- Polarizability
- 40.187398973958324
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6868267705830644
- pKa (strongest acidic)
- 3.1748750149404086
- Number of Rings
- 3
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- ChEBI
- 84039
- PubChem
- 86583350
- MetaboLights
- MTBLC84039
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Dihydro-resveratrol | Polyphenols | Stilbenes | Not Available | Show Precursor |
| Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|---|
| Dihydro-resveratrol | Dihydro-resveratrol-3-O-glucuronide | Not Available | Not Available | host metabolism | C20H22O9 | 406.126382288 | |||
| Resveratrol (trans-) | Dihydro-resveratrol-3-O-glucuronide | pig | aorta tissue, bile, cerebellum, colon tissue, colorectal tissue, duodenum tissue, heart, ileum tissue, jejunum tissue, kidneys, liver, lymph, lymphatic node, mesenteric fat, muscle, ovaries, perineal fat, plasma, spleen, stomach, subctuaneous fat, urine | gut microbiota metabolite | C20H22O9 | 406.126382288 | Publications |