Summary

IMPPAT Phytochemical identifier: IMPHY005810

Phytochemical name: Oncinotine

Synonymous chemical names:
oncinotine

External chemical identifiers:
CID:192984

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Chemical structure information

SMILES:
NCCCCN1CCCN2CCCC[C@H]2CCCCCCCCCCC1=O

InChI:
InChI=1S/C23H45N3O/c24-17-10-12-19-26-21-13-20-25-18-11-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1

InChIKey:
BMGOFEXYTOOWHE-JOCHJYFZSA-N

DeepSMILES:
NCCCCNCCCNCCCC[C@H]6CCCCCCCCCCC%21=O

Functional groups:
CC(=O)N(C)C, CN, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCCC2CCCCN2CCCN1

Scaffold Graph/Node level:
OC1CCCCCCCCCCC2CCCCN2CCCN1

Scaffold Graph level:
CC1CCCCCCCCCCC2CCCCC2CCCC1

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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: Quinolizidine alkaloids

NP-Likeness score: -0.588

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Chemical structure download