Identification

PhytoHub ID
PHUB000341
Name
Parthenocissin A
Synonyms
Not Available
CAS Number
Not Available
Average Mass
454.478
Monoisotopic Mass
454.141638428
Chemical Formula
C28H22O6
IUPAC Name
(1Z,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
InChI Key
BIQMSWPBPAKGSE-RVMRZQENSA-N
InChI Identifier
InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9+/t26-,27+/m1/s1
SMILES
OC1=CC=C(\C=C2\[C@H]([C@@H](C3=C2C=C(O)C=C3O)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.36e-03 g/l
LogS (ALOGPS)
-5.13
LogP (ALOGPS)
4.08
Hydrogen Acceptors
6
Hydrogen Donors
6
Rotatable Bond Count
3
Polar Surface Area
121.38000000000001
Refractivity
130.20640000000003
Polarizability
48.148820656100995
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.46367868039991
pKa (strongest acidic)
8.788445745473322
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Red wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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