Summary

IMPPAT Phytochemical identifier: IMPHY013682

Phytochemical name: Moringyne

Synonymous chemical names:
moringyne

External chemical identifiers:
CID:131751186, ChEBI:168007

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Chemical structure information

SMILES:
OCC1OC(OC(=O)c2c(C)cccc2C)C(C(C1O)O)O

InChI:
InChI=1S/C15H20O7/c1-7-4-3-5-8(2)10(7)14(20)22-15-13(19)12(18)11(17)9(6-16)21-15/h3-5,9,11-13,15-19H,6H2,1-2H3

InChIKey:
QQHRYSLWMCEKRX-UHFFFAOYSA-N

DeepSMILES:
OCCOCOC=O)ccC)cccc6C)))))))))CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCCCO1)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CCCCO1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCCC1)C1CCCCC1

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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: Shikimates and Phenylpropanoids

NP-Likeness score: 1.527

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Chemical structure download