Summary

IMPPAT Phytochemical identifier: IMPHY002039

Phytochemical name: Tachioside

Synonymous chemical names:
tachioside

External chemical identifiers:
CID:11962143, ChEMBL:CHEMBL1077078, ZINC:ZINC000049051501, SureChEMBL:SCHEMBL9576060, MolPort-028-599-890

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1

InChIKey:
KWVHACHAQJFTLZ-UJPOAAIJSA-N

DeepSMILES:
OC[C@H]O[C@@H]Occcccc6)OC)))O))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, 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-Likeness score: 1.919

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Chemical structure download