Summary

IMPPAT Phytochemical identifier: IMPHY006876

Phytochemical name: Palustrine

Synonymous chemical names:
palustrine

External chemical identifiers:
CID:442867, ChEBI:7902

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Chemical structure information

SMILES:
CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2)O

InChI:
InChI=1S/C17H31N3O2/c1-2-16(21)15-8-5-7-14-13-17(22)19-11-4-3-9-18-10-6-12-20(14)15/h5,7,14-16,18,21H,2-4,6,8-13H2,1H3,(H,19,22)/t14-,15+,16+/m1/s1

InChIKey:
YBZUGUWOQLUNKD-PMPSAXMXSA-N

DeepSMILES:
CC[C@@H][C@@H]CC=C[C@H]N6CCCNCCCCNC=O)C%13)))))))))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C=CCCN2CCCNCCCCN1

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: Ornithine alkaloids

NP Classifier Class: Polyamines

NP-Likeness score: 1.403

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Chemical structure download