Summary

IMPPAT Phytochemical identifier: IMPHY013632

Phytochemical name: 7-O-Methylmangiferin

Synonymous chemical names:
mangiferin,7-o-methyl

External chemical identifiers:
CID:101916326, ZINC:ZINC000238769052, MolPort-039-339-100

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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)OC)O

InChI:
InChI=1S/C20H20O11/c1-29-10-2-6-9(3-7(10)22)30-11-4-8(23)13(17(26)14(11)15(6)24)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1

InChIKey:
INBSFHNHCNZEOY-PQSJUMPYSA-N

DeepSMILES:
OC[C@H]O[C@H][C@@H][C@H][C@@H]6O))O))O))ccO)cccc6O))c=O)cco6)cccc6)OC)))O

Functional groups:
CO, COC, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccc(C3CCCCO3)cc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCC(C3CCCCO3)CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCC(C3CCCCC3)CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire 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: 1.959

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Chemical structure download