Summary

IMPPAT Phytochemical identifier: IMPHY007210

Phytochemical name: Flindersiamine

Synonymous chemical names:
flindersiamine

External chemical identifiers:
CID:68221, ChEMBL:CHEMBL503519, ChEBI:5093, ZINC:ZINC000000900182, FDASRS:6Q8RKP2039, SureChEMBL:SCHEMBL7913645

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Chemical structure information

SMILES:
COc1c2OCOc2cc2c1nc1occc1c2OC

InChI:
InChI=1S/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-10-8(11)5-9-12(13(10)17-2)20-6-19-9/h3-5H,6H2,1-2H3

InChIKey:
IMJCEVWDXKCHOI-UHFFFAOYSA-N

DeepSMILES:
COccOCOc5ccc9ncoccc5c9OC

Functional groups:
c1cOCO1, cOC, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2cc3cc4c(cc3nc2o1)OCO4

Scaffold Graph/Node level:
C1OC2CC3CC4CCOC4NC3CC2O1

Scaffold Graph level:
C1CC2CC3CC4CCCC4CC3CC2C1

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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: 1.246

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Chemical structure download