Summary

IMPPAT Phytochemical identifier: IMPHY014468

Phytochemical name: 4,6,7-Trimethoxy-2,3-dihydrofuro[2,3-b]quinoline

Synonymous chemical names:
2,3-dihydrokokusaginine

External chemical identifiers:
CID:71396179

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)nc1c(c2OC)CCO1

InChI:
InChI=1S/C14H15NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h6-7H,4-5H2,1-3H3

InChIKey:
SABVVKZCXIVAMA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))nccc6OC)))CCO5

Functional groups:
cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2nc3c(cc2c1)CCO3

Scaffold Graph/Node level:
C1CCC2NC3OCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Dihydrofuranoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.64

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Chemical structure download