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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL69299
CHEMBL69299
Compound Name HYDRANGENOL
ChEMBL Synonyms hydrangenol
Max Phase 0
Trade Names
Molecular Formula C15H12O4

Additional synonyms for CHEMBL69299 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2Cc3cccc(O)c3C(=O)O2
Standard InChI InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14 ...
Download InChI
Standard InChI Key DGKDFNDHPXVXHW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL69299

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
256.3 256.0736 2.55 1 66.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.56 - 2.34 2.33 2 19 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL69299. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DGKDFNDHPXVXHW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL69299



ACToR 480-47-7
ChEBI 5776
IBM Patent System 5F80BF50C5975B373FC2265F188D1329
KEGG Ligand C10262
Metabolights MTBLC5776
MolPort MolPort-028-750-779
Nikkaji J12.398F
PubChem 119199
PubChem: Thomson Pharma 15343071
SureChEMBL SCHEMBL12204955

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