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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL446974
CHEMBL446974
Compound Name EUGENIN
ChEMBL Synonyms Eugenin
Max Phase 0
Trade Names
Molecular Formula C11H10O4

Additional synonyms for CHEMBL446974 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)C=C(C)Oc2c1
Standard InChI InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/ ...
Download InChI
Standard InChI Key SUTUBQHKZRNZRA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL446974

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
206.2 206.0579 1.82 1 59.67 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.42 - 2.66 1.64 2 15 0.77

Structural Alerts

There are 3 structural alerts for CHEMBL446974. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUTUBQHKZRNZRA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL446974



ACToR 480-34-2
BindingDB 50338662
ChEBI 67374
eMolecules 10170250
EPA CompTox Dashboard DTXSID80197381
Human Metabolome Database HMDB0036627
IBM Patent System 1BDF7284299CD261A232679B3E11DFBD
Metabolights MTBLC67374
MolPort MolPort-003-803-086
Nikkaji J12.704C
PubChem 10189
PubChem: Thomson Pharma 14773198
SureChEMBL SCHEMBL1860860
ZINC ZINC000000336322

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