Summary

IMPPAT Phytochemical identifier: IMPHY012220

Phytochemical name: N-Methylflindersine

Synonymous chemical names:
n-methylflindersine

External chemical identifiers:
CID:72819, ChEMBL:CHEMBL400130, ChEBI:7315, ZINC:ZINC000000900263, FDASRS:BSN569UDJ0, MolPort-039-338-565

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Chemical structure information

SMILES:
Cn1c(=O)c2C=CC(Oc2c2c1cccc2)(C)C

InChI:
InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3

InChIKey:
RJZFGBNKPOVCHQ-UHFFFAOYSA-N

DeepSMILES:
Cnc=O)cC=CCOc6cc%10cccc6))))))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c2ccccc2c2c1C=CCO2

Scaffold Graph/Node level:
OC1NC2CCCCC2C2OCCCC12

Scaffold Graph level:
CC1CC2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 1.668

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Chemical structure download