Summary

IMPPAT Phytochemical identifier: IMPHY013673

Phytochemical name: Taraxacoside

Synonymous chemical names:
taraxacoside

External chemical identifiers:
CID:131750952, ChEBI:168895

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Chemical structure information

SMILES:
OCC1OC(OC2COC(=O)C2)C(C(C1OC(=O)Cc1ccc(cc1)O)O)O

InChI:
InChI=1S/C18H22O10/c19-7-12-17(28-14(22)5-9-1-3-10(20)4-2-9)15(23)16(24)18(27-12)26-11-6-13(21)25-8-11/h1-4,11-12,15-20,23-24H,5-8H2

InChIKey:
ZNBBYALXAQXHJE-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCOC=O)C5))))))CCC6OC=O)Ccccccc6))O)))))))))O))O

Functional groups:
CO, COC(C)=O, COC(C)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(OC2CCC(OC(=O)Cc3ccccc3)CO2)CO1

Scaffold Graph/Node level:
OC1CC(OC2CCC(OC(O)CC3CCCCC3)CO2)CO1

Scaffold Graph level:
CC(CC1CCCCC1)CC1CCC(CC2CCC(C)C2)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-Likeness score: 2.055

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Chemical structure download