Summary

IMPPAT Phytochemical identifier: IMPHY007173

Phytochemical name: Aminobutylhomospermidine

Synonymous chemical names:
homospermine

External chemical identifiers:
CID:6452022, ChEMBL:CHEMBL88138, ZINC:ZINC000013377742, SureChEMBL:SCHEMBL323273

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Chemical structure information

SMILES:
NCCCCNCCCCNCCCCN

InChI:
InChI=1S/C12H30N4/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h15-16H,1-14H2

InChIKey:
RPSHOHKFHRFBAZ-UHFFFAOYSA-N

DeepSMILES:
NCCCCNCCCCNCCCCN

Functional groups:
CN, CNC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Polyamines

NP-Likeness score: 0.104

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Chemical structure download