| Common Name |
Isomangiferin
| Description |
Isomangiferin is found in fruits. Isomangiferin is a constituent of Mangifera indica (mango).Isomangiferin has been shown to exhibit anti-viral function (PMID 2167819 ).Isomangiferin belongs to the family of Xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29477 (Isomangiferin)
| Synonyms |
| Value |
Source |
4-b-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9ciHMDB
4-Glucosyl-1,3,6,7-tetrahydroxyxanthoneHMDB
| Chemical Formlia |
C19H18O11
| Average Molecliar Weight |
422.3396
| Monoisotopic Molecliar Weight |
422.084911418
| IUPAC Name |
1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one
| Traditional Name |
1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
| CAS Registry Number |
24699-16-9
| SMILES |
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O
| InChI Identifier |
InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2
| InChI Key |
CDYBOKJASDEORM-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
| Kingdom |
Organic compounds
| Super Class |
Organoheterocyclic compounds
| Class |
Benzopyrans
| Sub Class |
1-benzopyrans
| Direct Parent |
Xanthones
| Alternative Parents |
Phenolic glycosides
Chromones
C-glycosyl compounds
Resorcinols
Catechols
Pyranones and derivatives
Oxanes
Monosaccharides
Vinylogous acids
Heteroaromatic compounds
Secondary alcohols
1,2-diols
Oxacyclic compounds
Dialkyl ethers
Primary alcohols
Hydrocarbon derivatives
| Substituents |
Phenolic glycoside
Xanthone
Glycosyl compound
Chromone
C-glycosyl compound
Resorcinol
1,2-diphenol
Pyranone
Benzenoid
Pyran
Oxane
Monosaccharide
Saccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Polyol
1,2-diol
Oxacycle
Ether
Dialkyl ether
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
anti-viral
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point260 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.06 mg/mLALOGPS
logP-0.13ALOGPS
logP-0.36ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)7.02ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area197.37 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity97.86 m3·mol-1ChemAxon
Polarizability39.3 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000601
| KNApSAcK ID |
Not Available
| Chemspider ID |
11255006
| KEGG Compound ID |
C16979
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29477
| Metagene Link |
HMDB29477
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Dapiprazole (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Zheng MS, Lu ZY: Antiviral effect of mangiferin and isomangiferin on herpes simplex virus. Chin Med J (Engl). 1990 Feb;103(2):160-5. [PubMed:2167819 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 23297162
