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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL110370
CHEMBL110370
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14O4

Additional synonyms for CHEMBL110370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O
Standard InChI InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16) ...
Download InChI
Standard InChI Key ANNNBEZJTNCXHY-NSCUHMNNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL110370

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
258.3 258.0892 2.98 3 69.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.16 - 2.98 2.97 2 19 0.74

Structural Alerts

There are 3 structural alerts for CHEMBL110370. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ANNNBEZJTNCXHY-NSCUHMNNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL110370



eMolecules 25720095
Human Metabolome Database HMDB0128522
Mcule MCULE-4874566195
MolPort MolPort-001-741-171
Nikkaji J17.619B J2.924.688B
PubChem 5318650
PubChem: Thomson Pharma 15343192
SureChEMBL SCHEMBL13004148
ZINC ZINC000013541228

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