Viniferin (delta-)
precursor
Showing entry for Viniferin (delta-)
Identification
- PhytoHub ID
- PHUB000317
- Name
- Viniferin (delta-)
- Systematic Name
- Not Available
- Synonyms
- Maximol A
- trans-Gamma-viniferin
- CAS Number
- Not Available
- Average Mass
- 454.478
- Monoisotopic Mass
- 454.141638428
- Chemical Formula
- C28H22O6
- IUPAC Name
- 5-[(2S,3S)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
- InChI Key
- LILPTCHQLRKZNG-LPGNHZEISA-N
- InChI Identifier
InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1
- SMILES
[H][C@@]1(OC2=C(C=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@]1([H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1
- Structure
Structure for Viniferin (delta-)
Calculated Properties
- Solubility (ALOGPS)
- 2.10e-03 g/l
- LogS (ALOGPS)
- -5.34
- LogP (ALOGPS)
- 4.56
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 4
- Polar Surface Area
- 110.38000000000001
- Refractivity
- 130.0395
- Polarizability
- 48.50492912098958
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.89016798744708
- pKa (strongest acidic)
- 8.497816243447565
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- 2-arylbenzofuran flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- 2-arylbenzofuran flavonoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "1-phenylcoumarans", "Alkyl aryl ethers", "Benzofurans", "Hydrocarbon derivatives", "Lignans, neolignans and related compounds", "Linear diarylheptanoids", "Oxacyclic compounds", "Resorcinols", "Stilbenes", "Styrenes"]
- External Descriptor Annotations
- ["1-benzofurans", "polyphenol", "stilbenoid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "1-phenylcoumaran", "2-arylbenzofuran flavonoid", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzofuran", "Coumaran", "Ether", "Hydrocarbon derivative", "Linear 1,7-diphenylheptane skeleton", "Monocyclic benzene moiety", "Neolignan skeleton", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Resorcinol", "Stilbene", "Styrene"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Red wine | Beverages, Alcoholic | Publications | Show | |
| rhubarb root | Vegetables, Root vegetables | Publications | Show |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Viniferin (delta-) | trans-δ-viniferin glucuronide | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C34H30O12 | 630.173726406 | Publications | |||
| Viniferin (delta-) | trans-δ-viniferin sulphate | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C28H22O9S | 534.098453462 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available