Summary

IMPPAT Phytochemical identifier: IMPHY001425

Phytochemical name: Pleoside

Synonymous chemical names:
pleoside

External chemical identifiers:
CID:44566416, ChEMBL:CHEMBL490704

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc(OC)cc(c2C(=O)C)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(22-2)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3/t10-,12-,13+,14-,15-/m1/s1

InChIKey:
XERRGONJPVYTDB-TVKJYDDYSA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccOC))ccc6C=O)C)))O)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, cC(C)=O, 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: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 1.846

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Chemical structure download