Summary

IMPPAT Phytochemical identifier: IMPHY008899

Phytochemical name: Pyrrolidine, 1-(1-oxo-2,4-eicosadienyl)-, (E,E)-

Synonymous chemical names:
trichonine

External chemical identifiers:
CID:10872138, ZINC:ZINC000135704268

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Chemical structure information

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

InChI:
InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h16-18,21H,2-15,19-20,22-23H2,1H3/b17-16+,21-18+

InChIKey:
RIDFJCCEYZWOSP-RAISGICESA-N

DeepSMILES:
CCCCCCCCCCCCCCC/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-Likeness score: 0.531

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Chemical structure download