Summary

IMPPAT Phytochemical identifier: IMPHY003987

Phytochemical name: Eugenyl glucoside

Synonymous chemical names:
citrusin c, eugenol glucoside, eugenyl glucoside

External chemical identifiers:
CID:3084296, ChEMBL:CHEMBL463487, ZINC:ZINC000013509247, FDASRS:TF6DX3Y0J8, SureChEMBL:SCHEMBL3613061, MolPort-001-740-569

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Chemical structure information

SMILES:
C=CCc1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1

InChIKey:
VADSVXSGIFBZLI-IBEHDNSVSA-N

DeepSMILES:
C=CCcccccc6)OC)))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
C=CC, CO, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.781

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Chemical structure download