Identification

PhytoHub ID
PHUB000319
Name
Pallidol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
454.478
Monoisotopic Mass
454.141638428
Chemical Formula
C28H22O6
IUPAC Name
(1R,8R,9R,16R)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol
InChI Key
YNVJOQCPHWKWSO-ZBVBGGFBSA-N
InChI Identifier
InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1
SMILES
[H][C@]12[C@@H](C3=C(O)C=C(O)C=C3[C@@]1([H])[C@@H](C1=C(O)C=C(O)C=C21)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.64e-03 g/l
LogS (ALOGPS)
-4.91
LogP (ALOGPS)
3.71
Hydrogen Acceptors
6
Hydrogen Donors
6
Rotatable Bond Count
2
Polar Surface Area
121.38000000000001
Refractivity
127.942
Polarizability
47.91904202454496
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.450553092421562
pKa (strongest acidic)
9.073665831234711
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Grape wineBeverages, Alcoholic PublicationsShow
Red wineBeverages, Alcoholic PublicationsShow
rhubarb rootVegetables, Root vegetables PublicationsShow

Metabolism

No metabolism information available

Back