Summary

IMPPAT Phytochemical identifier: IMPHY005770

Phytochemical name: Thermospermine

Synonymous chemical names:
thermospermine

External chemical identifiers:
CID:194365, ChEMBL:CHEMBL151993, ChEBI:59564, ZINC:ZINC000027564039, SureChEMBL:SCHEMBL333029, MolPort-028-749-779

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Chemical structure information

SMILES:
NCCCNCCCNCCCCN

InChI:
InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2

InChIKey:
DODDBCGMRAFLEB-UHFFFAOYSA-N

DeepSMILES:
NCCCNCCCNCCCCN

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: 0.118

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Chemical structure download