Summary

IMPPAT Phytochemical identifier: IMPHY002603

Phytochemical name: Dihydrodillapiole

Synonymous chemical names:
dihydrodillapiole

Chemical structure information

SMILES:
CCCc1cc2OCOc2c(c1OC)OC

InChI:
InChI=1S/C12H16O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h6H,4-5,7H2,1-3H3

InChIKey:
FAXSCILDKXZFKA-UHFFFAOYSA-N

DeepSMILES:
CCCcccOCOc5cc9OC)))OC

Functional groups:
c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2OCOC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzodioxoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.806

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Chemical structure download