Summary

IMPPAT Phytochemical identifier: IMPHY010289

Phytochemical name: Trachelanthamidine

Synonymous chemical names:
trachelanthamidine

External chemical identifiers:
CID:188288, ChEBI:32249, ZINC:ZINC000004654764, FDASRS:G32020EJYI, SureChEMBL:SCHEMBL9540610, MolPort-046-153-851

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Chemical structure information

SMILES:
OC[C@@H]1CCN2[C@H]1CCC2

InChI:
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8-/m0/s1

InChIKey:
LOFDEIYZIAVXHE-YUMQZZPRSA-N

DeepSMILES:
OC[C@@H]CCN[C@H]5CCC5

Functional groups:
CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids, Quinolizidine alkaloids

NP-Likeness score: 1.058

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Chemical structure download