PhytoHub: Showing entry for trans-δ-viniferin glucuronide

trans-δ-viniferin glucuronide

Identification

PhytoHub ID

PHUB001556

Name

trans-δ-viniferin glucuronide

Synonyms

Not Available

CAS Number

Not Available

Average Mass

630.602

Monoisotopic Mass

630.173726406

Chemical Formula

C₃₄H₃₀O₁₂

IUPAC Name

3-{3-[(E)-2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy}-4,5,6-trihydroxyoxane-2-carboxylic acid

InChI Key

DWSXCKPMYYNCMQ-OWOJBTEDSA-N

InChI Identifier

InChI=1S/C34H30O12/c35-20-6-4-18(5-7-20)30-27(19-12-22(37)14-23(38)13-19)25-11-16(3-8-26(25)45-30)1-2-17-9-21(36)15-24(10-17)44-31-28(39)29(40)34(43)46-32(31)33(41)42/h1-15,27-32,34-40,43H,(H,41,42)/b2-1+

SMILES

OC1OC(C(OC2=CC(O)=CC(\C=C\C3=CC4=C(OC(C4C4=CC(O)=CC(O)=C4)C4=CC=C(O)C=C4)C=C3)=C2)C(O)C1O)C(O)=O

Structure

MOL SDF PDB SMILES InChI

Calculated Properties

Solubility (ALOGPS): 3.29e-02 g/l
LogS (ALOGPS): -4.28
LogP (ALOGPS): 3.82
Hydrogen Acceptors: 12
Hydrogen Donors: 8
Rotatable Bond Count: 7
Polar Surface Area: 206.59999999999997
Refractivity: 162.05130000000003
Polarizability: 63.84990876848072
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.945641107015608
pKa (strongest acidic): 3.2009500661083194

External Links

No external links

Precursor Taxonomy

Precursor	Family	Class	Sub-class
Viniferin (delta-)	Polyphenols	Stilbenes	Not Available	Show Precursor

Spectra

No spectra information available

Food Sources

	Precursor	Food Source	Food Source Group
	Viniferin (delta-)	Red wine	Beverages, Alcoholic	Publications	Show
	Viniferin (delta-)	rhubarb root	Vegetables, Root vegetables	Publications	Show

Metabolism

	Precursor		Metabolite	Species	Biofluids	Formula	Monoisotopic mass
	Viniferin (delta-)		trans-δ-viniferin glucuronide	rat	plasma, urine	C₃₄H₃₀O₁₂	630.173726406	Publications

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Showing entry for trans-δ-viniferin glucuronide