Summary

IMPPAT Phytochemical identifier: IMPHY012660

Phytochemical name: 6-Methoxy-9-methylfuro[2,3-b]quinolin-4-one

Synonymous chemical names:
isopteleine

External chemical identifiers:
CID:776150, ZINC:ZINC000000265512, MolPort-002-510-872

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Chemical structure information

SMILES:
COc1ccc2c(c1)c(=O)c1c(n2C)occ1

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

InChIKey:
XKTZVOMYVJKQTH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)c=O)ccn6C))occ5

Functional groups:
c=O, cOC, cn(c)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2occc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2OCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC21

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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: 0.616

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Chemical structure download