1,3,6,7-Tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
PubChem CID: 5358385
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | MLS000563058, SMR001215831, 1,3,6,7-tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one, Chinoinin, 1,3,6,7-TETRAHYDROXY-2-[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-9H-XANTHEN-9-ONE, cid_5358385, Chedisaride, Euxanthogen, Hedysaride, Mannipherin, Chinomine, NSC248870, 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside, SCHEMBL556845, CHEMBL1329826, BDBM115144, HMS2271N11, BCP28352, Mangiferin from Mangifera indica bark, AKOS001483349, AKOS021983207, NCGC00096024-01, 9H-Xanthen-9-one,3,6,7-tetrahydroxy-, NCI60_001986, SR-01000838905, Chinonin, Alpizarin, Alpizarine, Aphloiol, Chinomin, SR-01000838905-2, 2-b-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9CI, 1,3,6,7-tetrahydroxy-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)xanthone, 1,3,6,7-tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-9-xanthenone, 1,3,6,7-tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one, 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 197.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 30.0 |
| Description | Constituent of Mangifera indica (mango). Mangiferin is found in mango and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 646.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,6,7-tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one |
| Nih Violation | False |
| Class | Benzopyrans |
| Xlogp | -0.4 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | True |
| Subclass | 1-benzopyrans |
| Molecular Formula | C19H18O11 |
| Inchi Key | AEDDIBAIWPIIBD-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside, 2-b-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9CI, Alpizarin, Alpizarine, Aphloiol, Chedisaride, Chinoinin, Chinomin, Chinomine, Euxanthogen, Hedysarid, Hedysaride, Mangiferin from mangifera indica bark, Mannipherin, 1,3,6,7-Tetrahydroxyxanthone C2-beta-D-glucoside, 2-b-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9ci |
| Compound Name | 1,3,6,7-Tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one |
| Kingdom | Organic compounds |
| Exact Mass | 422.085 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 422.085 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 422.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| 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 |
| Smiles | C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all