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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

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

Structural Alerts

There are no structural alerts for CHEMBL505789

Compound Cross References

ChemSpider ChemSpider:KUBCEEMXQZUPDQ-UHFFFAOYSA-N
PubChem SID: 124892243 SID: 144205301 SID: 170466820 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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