PhytoHub: Showing entry for Viniferin (Epsilon-)

Viniferin (Epsilon-)

Identification

PhytoHub ID

PHUB000318

Name

Viniferin (Epsilon-)

Synonyms

Epsilon-viniferin
Viniferin (Epsilon-)

CAS Number

Not Available

Average Mass

454.478

Monoisotopic Mass

454.141638428

Chemical Formula

C₂₈H₂₂O₆

IUPAC Name

epsilon-viniferin

InChI Key

FQWLMRXWKZGLFI-YVYUXZJTSA-N

InChI Identifier

InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1

SMILES

OC1=CC=C(\C=C\C2=C3[C@H]([C@@H](OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1

Structure

MOL SDF PDB SMILES InChI

Calculated Properties

Solubility (ALOGPS): 2.39e-03 g/l
LogS (ALOGPS): -5.28
LogP (ALOGPS): 4.52
Hydrogen Acceptors: 6
Hydrogen Donors: 5
Rotatable Bond Count: 4
Polar Surface Area: 110.38000000000001
Refractivity: 130.0395
Polarizability: 47.91933536596034
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.905960186217109
pKa (strongest acidic): 8.507385040783499

External Links

ChEBI: 10556
ChEBI: 76146
ChEBI: 76140
ChEBI: 76139
PubChem: 5281728
MetaboLights: MTBLC10556
Phenol-Explorer: 584

Taxonomy

Family: Polyphenols
Class: Stilbenes
Sub-class: Not Available

Spectra

No spectra information available

Food Sources

Name	Group
Red wine	Beverages, Alcoholic	Publications	Show
rhubarb root	Vegetables, Root vegetables	Publications	Show
Rosé wine	Beverages, Alcoholic	Publications	Show
White wine	Beverages, Alcoholic	Publications	Show

Metabolism

	Precursor		Metabolite	Species	Biofluids	Formula	Monoisotopic mass
	Viniferin (Epsilon-)		ε-viniferin glucuronide	in vitro (human) in vitro (rat)	hepatocytes	C₃₄H₃₀O₁₂	630.173726406	Publications

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Showing entry for Viniferin (Epsilon-)