Summary

IMPPAT Phytochemical identifier: IMPHY001240

Phytochemical name: Arecaidine

Synonymous chemical names:
arecaidine, arecaine

External chemical identifiers:
CID:10355, ChEMBL:CHEMBL432561, ChEBI:2813, ZINC:ZINC000000898976, FDASRS:0S8YEV0D4O, SureChEMBL:SCHEMBL336164, MolPort-002-534-170

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Chemical structure information

SMILES:
CN1CC(=CCC1)C(=O)O

InChI:
InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)

InChIKey:
DNJFTXKSFAMXQF-UHFFFAOYSA-N

DeepSMILES:
CNCC=CCC6)))C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.933

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Chemical structure download