Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007306

Phytochemical name: Methylconiine

Synonymous chemical names:
Methylconiine, methylconiine, methyl-coniine

External chemical identifiers:
CID:CID_169683, ChEBI:CHEBI:32, ZINC:ZINC000001585344, FDASRS:KO6UG4YXE1, SureChEMBL:SCHEMBL3476022

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Chemical structure information

SMILES:
CCC[C@H]1CCCCN1C

InChI:
InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/t9-/m0/s1

InChIKey:
CUBHREGSQFAWDJ-VIFPVBQESA-N

DeepSMILES:
CCC[C@H]CCCCN6C

Functional groups:
CN(C)C

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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: Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids

NP-Likeness score: 0.153

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Chemical structure download