Identification

PhytoHub ID
PHUB000319
Name
Pallidol
Systematic Name
Not Available
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[7.7.0.0^{2,7}.0^{10,15}]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][[email protected]]12[[email protected]@H](C3=C(O)C=C(O)C=C3[[email protected]@]1([H])[[email protected]@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
127.94200000000001
Polarizability
47.85622388938447
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.450553092421561
pKa (strongest acidic)
9.07366583123471
Number of Rings
6
Rule of Five
No
Bioavailability
No
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

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

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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