Summary

IMPPAT Phytochemical identifier: IMPHY007877

Phytochemical name: Alatoside

Synonymous chemical names:
alatoside

External chemical identifiers:
CID:101664501

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Chemical structure information

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

InChI:
InChI=1S/C14H22O9/c15-4-8-10(18)11(19)12(20)14(22-8)23-13-9-5(1-2-21-13)6(16)3-7(9)17/h1-2,5-20H,3-4H2/t5-,6+,7-,8+,9-,10+,11-,12+,13-,14-/m0/s1

InChIKey:
QEFZHWXDJWRKGB-GEFBKXBWSA-N

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

Functional groups:
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: 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: 2.84

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Chemical structure download