Summary

IMPPAT Phytochemical identifier: IMPHY003269

Phytochemical name: Budmunchiamine A

Synonymous chemical names:
budmunchiamine a

External chemical identifiers:
CID:373662, ChEMBL:CHEMBL469081, SureChEMBL:SCHEMBL5698679

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Chemical structure information

SMILES:
CCCCCCCCCCCC1CC(=O)NCCCN(C)CCCCN(CCCN1C)C

InChI:
InChI=1S/C27H56N4O/c1-5-6-7-8-9-10-11-12-13-18-26-25-27(32)28-19-16-22-29(2)20-14-15-21-30(3)23-17-24-31(26)4/h26H,5-25H2,1-4H3,(H,28,32)

InChIKey:
HQMOQVLQJSZUTH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=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: 0.334

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Chemical structure download