Summary
IMPPAT Phytochemical identifier: IMPHY012744
Phytochemical name: Mangiferin
Synonymous chemical names:1,3,6,7-tetrahydroxyxanthone-c2-β-d-glucoside(mangiferin), chinomin, mangiferin, mangiferin(1,3,6,7-tetrahydroxyxanthone-2-glucopyranoside)
External chemical identifiers:CID:5281647, ChEMBL:CHEMBL464825, ChEBI:6682, ZINC:ZINC000004098535, FDASRS:1M84LD0UMD, SureChEMBL:SCHEMBL556844, MolPort-001-741-747
Chemical structure information
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1)O)OInChI:
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/s1InChIKey:
AEDDIBAIWPIIBD-ZJKJAXBQSA-NDeepSMILES:
OC[C@H]O[C@H][C@@H][C@H][C@@H]6O))O))O))ccO)cccc6O))c=O)cco6)cccc6)O))OFunctional groups:
CO, COC, c=O, cO, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccc(C3CCCCO3)cc12Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCC(C3CCCCO3)CC21Scaffold Graph level:
CC1C2CCCCC2CC2CCC(C3CCCCC3)CC21
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Xanthones
NP Classifier Class: Plant xanthones
NP-Likeness score: 1.999
Chemical structure download
