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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL505789
CHEMBL505789
Compound Name HORDENINE
ChEMBL Synonyms Hordenine | Hordenine Sulfate
Max Phase 0
Trade Names
Molecular Formula C10H15NO

Additional synonyms for CHEMBL505789 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1ccc(O)cc1
Standard InChI InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8 ...
Download InChI
Standard InChI Key KUBCEEMXQZUPDQ-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL505789

Alternate Forms of Compound in ChEMBL


CHEMBL505789

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
165.2 165.1154 1.98 3 23.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.38 3.03 3.03 1 12 0.74

Compound Cross References

ChemSpider ChemSpider:KUBCEEMXQZUPDQ-UHFFFAOYSA-N
PubChem SID: 124892243 SID: 144205301 SID: 26754605
Wikipedia Hordenine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL505789



ACToR 539-15-1
ChEBI 5764
eMolecules 873168
EPA CompTox Dashboard DTXSID2046096
FDA SRS K3489CA082
Human Metabolome Database HMDB04366
IBM Patent System 3CBB42E73154C12980FBDDB9D3842599
KEGG Ligand C06199
Mcule MCULE-5733361719
MolPort MolPort-000-881-627
Nikkaji J6.381I
PubChem 68313
PubChem: Thomson Pharma 15091285
Selleck Hordenine
SureChEMBL SCHEMBL36798

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