Summary

IMPPAT Phytochemical identifier: IMPHY010747

Phytochemical name: Palustridine

Synonymous chemical names:
palustridine

Chemical structure information

SMILES:
O=CN1CCCN2C(CC=CC2C(CC)O)CC(=O)NCCCC1

InChI:
InChI=1S/C18H31N3O3/c1-2-17(23)16-8-5-7-15-13-18(24)19-9-3-4-10-20(14-22)11-6-12-21(15)16/h5,8,14-17,23H,2-4,6-7,9-13H2,1H3,(H,19,24)

InChIKey:
TYRJPNHABXLXHV-UHFFFAOYSA-N

DeepSMILES:
O=CNCCCNCCC=CC6CCC))O))))))CC=O)NCCCC%13

Functional groups:
CC=CC, CN(C)C, CN(C)C=O, CNC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC=CCN2CCCNCCCCN1

Scaffold Graph/Node level:
OC1CC2CCCCN2CCCNCCCCN1

Scaffold Graph level:
CC1CCCCCCCCCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolactams

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 1.08

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Chemical structure download