Summary

IMPPAT Phytochemical identifier: IMPHY006704

Phytochemical name: 4,5-Dimethoxyfuro[2,3-B]quinoline

Synonymous chemical names:
5-methoxydictamnine

External chemical identifiers:
CID:71339665

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Chemical structure information

SMILES:
COc1c2c(OC)cccc2nc2c1cco2

InChI:
InChI=1S/C13H11NO3/c1-15-10-5-3-4-9-11(10)12(16-2)8-6-7-17-13(8)14-9/h3-7H,1-2H3

InChIKey:
MLCQEJCKKBNPAY-UHFFFAOYSA-N

DeepSMILES:
COcccOC))cccc6ncc%10cco5

Functional groups:
cOC, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2nc3occc3cc2c1

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: Furanoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.618

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Chemical structure download