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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL454320
CHEMBL454320
Compound Name TRICIN
ChEMBL Synonyms Tricin
Max Phase 0
Trade Names
Molecular Formula C17H14O7

Additional synonyms for CHEMBL454320 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(cc(OC)c1O)C2=CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20 ...
Download InChI
Standard InChI Key HRGUSFBJBOKSML-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL454320

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
330.3 330.074 2.38 3 105.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.48 - 2.41 1.16 2 24 0.79

Structural Alerts

There are 3 structural alerts for CHEMBL454320. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HRGUSFBJBOKSML-UHFFFAOYSA-N
Wikipedia Tricin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL454320



ACToR 520-32-1
Brenda 14946
ChEBI 59979
eMolecules 5756850
EPA CompTox Dashboard DTXSID20199965
FDA SRS D51JZL38TQ
IBM Patent System 7316BAF6FB47E2B14F67C254AEA18FFB
KEGG Ligand C10193
LipidMaps LMPK12110873
Mcule MCULE-9557900866
Metabolights MTBLC59979
MolPort MolPort-005-310-458
Nikkaji J132.014I
PubChem 5281702
PubChem: Thomson Pharma 16451774
SureChEMBL SCHEMBL44475
ZINC ZINC000005998961

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