Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007307

Phytochemical name: (-)-Coniine

Synonymous chemical names:
coniine

External chemical identifiers:
CID:CID_638021, ZINC:ZINC000000896223, FDASRS:QKK1SI92BR, SureChEMBL:SCHEMBL13596004

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Chemical structure information

SMILES:
CCC[C@@H]1CCCCN1

InChI:
InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m1/s1

InChIKey:
NDNUANOUGZGEPO-MRVPVSSYSA-N

DeepSMILES:
CCC[C@@H]CCCCN6

Functional groups:
CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids, Piperidine alkaloids

NP-Likeness score: 0.897

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Chemical structure download