Summary

IMPPAT Phytochemical identifier: IMPHY010897

Phytochemical name: Stilbericoside

Synonymous chemical names:
stilbericoside

External chemical identifiers:
CID:24721154, ZINC:ZINC000028536479

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@H]2O[C@H]2[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C14H20O10/c15-3-4-6(16)7(17)8(18)13(22-4)24-12-5-9-10(23-9)11(19)14(5,20)1-2-21-12/h1-2,4-13,15-20H,3H2/t4-,5+,6-,7+,8-,9-,10-,11-,12+,13+,14+/m1/s1

InChIKey:
PWZIGDMWDRKORM-VYCVTKFNSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=C[C@@][C@H]6[C@H]O[C@H]3[C@H]6O))))))O)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@H](C)O[C@H]1CCC=CO1, C[C@@H]1O[C@@H]1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3OC3C2C(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2OCCC3CC4OC4C32)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3CC4CC4C23)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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 3.089

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Chemical structure download