Identification

PhytoHub ID
PHUB001421
Name
Mangiferin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
422.342
Monoisotopic Mass
422.0849114
Chemical Formula
C19H18O11
IUPAC Name
mangiferin
InChI Key
AEDDIBAIWPIIBD-ZJKJAXBQSA-N
InChI Identifier
InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
SMILES
[H][C@]1(CO)O[C@@]([H])(C2=C(O)C3=C(OC4=C(C=C(O)C(O)=C4)C3=O)C=C2O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
Structure

Calculated Properties

Solubility (ALOGPS)
5.02e+00 g/l
LogS (ALOGPS)
-1.92
LogP (ALOGPS)
-0.09
Hydrogen Acceptors
10
Hydrogen Donors
8
Rotatable Bond Count
2
Polar Surface Area
197.36999999999998
Refractivity
97.8582
Polarizability
39.03745842673252
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.979192626943851
pKa (strongest acidic)
6.9773522258090885
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Taxonomy

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
MangoFruit, Tropical fruitsShow

Metabolism

No metabolism information available

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