Summary

IMPPAT Phytochemical identifier: IMPHY006040

Phytochemical name: Eupolauridine

Synonymous chemical names:
canangine, eupolauridine

External chemical identifiers:
CID:72486, ChEMBL:CHEMBL477708, ChEBI:67605, SureChEMBL:SCHEMBL3125284

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Chemical structure information

SMILES:
c1ccc2-c3c4c(-c2c1)nccc4ccn3

InChI:
InChI=1S/C14H8N2/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-14(11)12/h1-8H

InChIKey:
KIVUUVOREYMMFE-UHFFFAOYSA-N

DeepSMILES:
cccc-ccc-c5c9))nccc6ccn%10

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)-c1nccc3ccnc-2c13

Scaffold Graph/Node level:
C1CCC2C(C1)C1NCCC3CCNC2C31

Scaffold Graph level:
C1CCC2C(C1)C1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Naphthyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 0.289

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Chemical structure download