Mangiferin

Details

• Internal ID: 2dc915c7-0bf8-4c98-b08a-77438beac7ea
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• 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
• SMILES (Canonical): C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
• SMILES (Isomeric): C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• InChI: 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
• InChI Key: AEDDIBAIWPIIBD-ZJKJAXBQSA-N
• Popularity: 731 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₈O₁₁
• Molecular Weight: 422.30 g/mol
• Exact Mass: 422.08491139 g/mol
• Topological Polar Surface Area (TPSA): 197.00 Ų
• XlogP: -0.40

Synonyms

• 4773-96-0
• Chinonin
• Alpizarin
• Hedysarid
• Chinomin
• Alpizarine
• 1M84LD0UMD
• CHEBI:6682
• 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
• 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
• DTXSID60197263
• NSC-248870
• 9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
• 1,3,6,7-tetrahydroxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)xanthen-9-one
• RefChem:42324
• DTXCID70119754
• Aphloiol
• Mangiferin Mangifera indica
• MFCD00075656
• Xanthone-c-glucoside
• 9H-Xanthen-9-one, 2-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
• (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol
• 1,3,6,7-Tetrahydroxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
• 9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
• 1,3,6,7-Tetrahydroxyxanthone-C2-b-D-glucoside
• Chinoinin
• Shamimin
• 9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy- (9CI)
• 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
• UNII-1M84LD0UMD
• cid_5358385
• Mangiferol
• NSC248870
• HZI
• Mangiferin, 98%
• Mangiferin - 90%
• NSC 248870
• Mangiferin (Standard)
• 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside
• AC1NQYT4
• MANGIFERIN [USP-RS]
• MANGIFERIN [WHO-DD]
• SCHEMBL556844
• Mangiferin (Many other names)
• Mangiferin, analytical standard
• CHEMBL464825
• orb1304623
• SCHEMBL29360104
• SCHEMBL29398476
• BCBcMAP01_000240
• GTPL13843
• HY-N0290R
• GLXC-03051
• HY-N0290
• BDBM50248691
• MSK158066
• s3808
• STL564509
• AKOS015896788
• CCG-268909
• CS-4663
• MT08923
• SMP1_000290
• AC-34484
• AS-15337
• DA-75300
• FM158983
• M2886
• NS00074224
• 773M960
• AN-668/21203018
• Q1074417
• c2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxyxanthone
• Mangiferin, European Pharmacopoeia (EP) Reference Standard
• 2-?-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one;1,3,6,7-Tetrahydroxyxanthone-C2-?-D-glucoside;Alpizarine

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL5573	P09923	Intestinal alkaline phosphatase	262 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.41%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.45%	89.00%
CHEMBL2581	P07339	Cathepsin D	94.53%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.84%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.64%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	87.32%	94.73%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	83.29%	96.21%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.03%	99.23%

Plants that contains it

• Aconitum burnatii
• Adenopeltis serrata
• Ageratina adenophora
• Alnus firma
• Aloysia citrodora
• Alseodaphne paludosa
• Anemarrhena asphodeloides
• Annona impressivenia
• Aquilaria sinensis
• Artemisia montana
• Asplenium montanum
• Astragalus mongholicus
• Barbilophozia barbata
• Bersama abyssinica
• Bersama yangambiensis
• Bituminaria bituminosa
• Boehmeria nivea
• Caloncoba echinata
• Calophyllum apetalum
• Camonea umbellata
• Canscora alata
• Castanopsis sclerophylla
• Centaurea seridis
• Chrozophora tinctoria
• Cneorum pulverulentum
• Coleus garckeanus
• Cordylanthus kingii
• Cratoxylum cochinchinense
• Cratoxylum formosum subsp. pruniflorum
• Crocus flavus subsp. flavus
• Crotalaria micans
• Croton cascarilloides
• Croton poilanei
• Cyclopia intermedia
• Cyclopia subternata
• Cystopteris fragilis
• Dalbergia stipulacea
• Dasymaschalon sootepense
• Davallia solida
• Delairea odorata
• Delphinium ajacis
• Delphinium oliverianum
• Dictyoloma vandellianum
• Disynaphia halimifolia
• Drypetes stipularis
• Elaeagnus commutata
• Eragrostis viscosa
• Eucalyptus flocktoniae
• Euonymus sachalinensis
• Euphorbia makinoi
• Felicia erigeroides
• Flindersia brayleyana
• Flueggea virosa subsp. melanthesoides
• Forsteronia refracta
• Fridericia chica
• Fridericia patellifera
• Fridericia samydoides
• Gentiana asclepiadea
• Gentiana cruciata
• Gentiana lutea
• Gentiana thunbergii
• Gentianella campestris
• Gentianella nitida
• Gerbera piloselloides
• Gnidia involucrata
• Grewia mollis
• Guatteria megalophylla
• Gymnocarpium robertianum
• Gyrinops walla
• Hedysarum alpinum
• Hedysarum branthii
• Hedysarum denticulatum
• Hedysarum vicioides subsp. japonicum
• Heliotropium floridum
• Heptaptera triquetra
• Heracleum sphondylium
• Heterotheca grandiflora
• Hibiscus liliastrum
• Hovenia acerba
• Hymenophyllum nephrophyllum
• Hypericum androsaemum
• Hypericum hircinum
• Hypericum humifusum
• Hypericum perforatum
• Hypericum sampsonii
• Iris domestica
• Iris ensata
• Iris florentina
• Iris missouriensis
• Iris nigricans
• Jaborosa caulescens
• Juglans nigra
• Kaempferia marginata
• Kaunia saltensis
• Kummerowia striata
• Lupinus paniculatus
• Lycoris traubii
• Lygodium flexuosum
• Mangifera indica
• Mascarenhasia arborescens
• Meconopsis napaulensis
• Millettia conraui
• Monnina emarginata
• Nauclea officinalis
• Palafoxia rosea
• Panax ginseng
• Pedicularis condensata
• Perityle vaseyi
• Peucedanum officinale subsp. longifolium
• Phaleria capitata
• Phoebe formosana
• Polygala fallax
• Polygala sibirica
• Polygala tenuifolia
• Porella swartziana
• Pyrrosia hastata
• Pyrrosia lingua
• Pyrrosia petiolosa
• Pyrus calleryana
• Quercus mongolica
• Rheum webbianum
• Rhynchosia suaveolens
• Ruta pinnata
• Saccharum spontaneum
• Salacia chinensis
• Salacia reticulata
• Salvia coulteri
• Salvia dorrii
• Sandea japonica
• Satureja cuneifolia
• Senecio flavus
• Sida cordifolia
• Silene fortunei
• Smilax bracteata
• Smilax myosotiflora
• Solanum sisymbriifolium
• Solenostoma obovatum
• Sophora flavescens var. flavescens
• Stevia polycephala
• Strychnos staudtii
• Swertia calycina
• Swertia chirayita
• Swertia cordata
• Swertia corymbosa
• Swertia franchetiana
• Swertia japonica
• Swertia kouitchensis
• Swertia mussotii
• Swertia pseudochinensis
• Swertia punctata
• Teucrium cubense
• Teucrium leucocladum
• Thymbra spicata
• Thymus piperella
• Tigridia orthantha
• Trichilia rubescens
• Trichomanes polypodioides
• Tripterospermum lanceolatum
• Tripterospermum trinervium
• Tsuga mertensiana
• Turraeanthus mannii
• Uraria picta
• Urena lobata
• Wettsteinia inversa
• Woodsia ilvensis

Cross-Links

• PubChem: 5281647
• NPASS: NPC228383
• ChEMBL: CHEMBL464825
• LOTUS: LTS0009443
• wikiData: Q1074417