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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26687
CHEMBL26687
Compound Name MESCALINE
ChEMBL Synonyms 2-(3,4,5-Trimethoxyphenyl)Ethanamine
Max Phase 0
Trade Names
Molecular Formula C11H17NO3

Additional synonyms for CHEMBL26687 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CCN)cc(OC)c1OC
Standard InChI InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6 ...
Download InChI
Standard InChI Key RHCSKNNOAZULRK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL26687

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
211.3 211.1208 1.21 5 53.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.56 .53 -1.59 1 15 0.8

Structural Alerts

There are no structural alerts for CHEMBL26687

Compound Cross References

ChemSpider ChemSpider:RHCSKNNOAZULRK-UHFFFAOYSA-N
Wikipedia Mescaline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26687



ACToR 11006-96-5 54-04-6
BindingDB 50059891
Brenda 50832
ChEBI 28346
eMolecules 872969
EPA CompTox Dashboard DTXSID80202303
FDA SRS RHO99102VC
IBM Patent System 25B5009919E291AFA0D0ED9237589D64
KEGG Ligand C06546
Metabolights MTBLC28346
Nikkaji J4.150E
PubChem 4076
PubChem: Thomson Pharma 14822463
SureChEMBL SCHEMBL34190
ZINC ZINC000000001689

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