precursor

Showing entry for Mangiferin

Identification

PhytoHub ID
PHUB001421
Name
Mangiferin
Systematic Name
Not Available
Synonyms
  • (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol
  • Alpizarin
  • Aphloiol
  • Chinomin
  • Hedysarid
CAS Number
4773-96-0
Average Mass
422.342
Monoisotopic Mass
422.0849114
Chemical Formula
C19H18O11
IUPAC Name
1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
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(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
Structure
Similar Structures

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
39.217030034210964
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.979192626943851
pKa (strongest acidic)
6.9773522258090885
Number of Rings
4
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Benzopyrans
Super-class
Organoheterocyclic compounds
Sub-class
1-benzopyrans
Direct Parent Name
Xanthones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "C-glycosyl compounds", "Chromones", "Dialkyl ethers", "Heteroaromatic compounds", "Hexoses", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Polyols", "Primary alcohols", "Pyranones and derivatives", "Secondary alcohols", "Vinylogous acids"]
External Descriptor Annotations
["C-glycosyl compound", "xanthenes", "xanthones"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic heteropolycyclic compound", "Benzenoid", "C-glycosyl compound", "Chromone", "Dialkyl ether", "Ether", "Glycosyl compound", "Heteroaromatic compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Monosaccharide", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenolic glycoside", "Polyol", "Primary alcohol", "Pyran", "Pyranone", "Secondary alcohol", "Vinylogous acid", "Xanthone"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
MangoFruit, Tropical fruits PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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