Summary

IMPPAT Phytochemical identifier: IMPHY006162

Phytochemical name: 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-

Synonymous chemical names:
eucryphin

External chemical identifiers:
CID:5488575, ChEMBL:CHEMBL470337, ZINC:ZINC000006066928

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Chemical structure information

SMILES:
O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1coc2c(c1=O)c(O)cc(c2)O

InChI:
InChI=1S/C15H16O9/c1-5-11(18)13(20)14(21)15(23-5)24-9-4-22-8-3-6(16)2-7(17)10(8)12(9)19/h2-5,11,13-18,20-21H,1H3/t5-,11-,13+,14+,15-/m0/s1

InChIKey:
XCVOCJFOQNDTNC-ZNDRGHTASA-N

DeepSMILES:
O[C@H][C@@H]O[C@H][C@@H][C@H]6O))O))C)))Occoccc6=O))cO)ccc6)O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(OC2CCCCO2)COC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CCC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 2.166

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Chemical structure download