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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL401798
CHEMBL401798
Compound Name ANONAINE
ChEMBL Synonyms (-)-Anonaine | Anonaine
Max Phase 0
Trade Names
Molecular Formula C17H15NO2

Additional synonyms for CHEMBL401798 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2cc3OCOc3c4c5ccccc5C[C@@H](N1)c24
Standard InChI InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-1 ...
Download InChI
Standard InChI Key VZTUKBKUWSHDFM-CYBMUJFWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL401798

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.3 265.1103 2.83 0 30.49 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.29 4.62 3.69 2 20 0.79

Structural Alerts

There are no structural alerts for CHEMBL401798

Compound Cross References

ChemSpider ChemSpider:VZTUKBKUWSHDFM-CYBMUJFWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL401798



ACToR 1862-41-5
BindingDB 50202322
ChEBI 76
EPA CompTox Dashboard DTXSID00171865
KEGG Ligand C09339
Metabolights MTBLC76
Nikkaji J14.381B
PubChem 160597
SureChEMBL SCHEMBL15800856

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VZTUKBKUWSHDFM-CYBMUJFWSA-N spacer
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