Summary

IMPPAT Phytochemical identifier: IMPHY000140

Phytochemical name: Budmunchiamine B

Synonymous chemical names:
budmunchiamine b

External chemical identifiers:
CID:10455058, SureChEMBL:SCHEMBL6316672

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Chemical structure information

SMILES:
CCCCCCCCCC1CC(=O)NCCCN(C)CCCCN(CCCN1C)C

InChI:
InChI=1S/C25H52N4O/c1-5-6-7-8-9-10-11-16-24-23-25(30)26-17-14-20-27(2)18-12-13-19-28(3)21-15-22-29(24)4/h24H,5-23H2,1-4H3,(H,26,30)

InChIKey:
OAURMGVSLFVKFS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)NCCCNC)CCCCNCCCN%17C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCNCCCNCCCCNCCCN1

Scaffold Graph/Node level:
OC1CCNCCCNCCCCNCCCN1

Scaffold Graph level:
CC1CCCCCCCCCCCCCCCC1

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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: 0.356

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Chemical structure download