Summary

IMPPAT Phytochemical identifier: IMPHY006215

Phytochemical name: (2E,4E)-1-(Pyrrolidin-1-yl)deca-2,4-dien-1-one

Synonymous chemical names:
1-(2,4-decadienoyl)-pyrrolidine, sarmentine

External chemical identifiers:
CID:6440616, ChEMBL:CHEMBL2205104, ChEBI:70092, ZINC:ZINC000005819999, FDASRS:69ACA84TFV, SureChEMBL:SCHEMBL988355, MolPort-027-947-863

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Chemical structure information

SMILES:
CCCCC/C=C/C=C/C(=O)N1CCCC1

InChI:
InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+

InChIKey:
BFZBGTMIBOQWBA-HRCSPUOPSA-N

DeepSMILES:
CCCCC/C=C/C=C/C=O)NCCCC5

Functional groups:
C/C=C/C=C/C(=O)N(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: N-acylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.796

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Chemical structure download