Summary

IMPPAT Phytochemical identifier: IMPHY010504

Phytochemical name: Linarioside

Synonymous chemical names:
linarioside

Chemical structure information

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

InChI:
InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1

InChIKey:
DRWIVSAUXCDFQK-XNMVDKJESA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=C[C@@][C@H]6[C@@]C)O)[C@@H][C@H]5O))Cl))))O)))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC2C(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2OCCC3CCCC32)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.999

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Chemical structure download