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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109652
CHEMBL109652
Compound Name SYRINGOL
ChEMBL Synonyms 2,6-Dimethoxyphenol | 2,6-Dimethoxy-Phenol
Max Phase 0
Trade Names
Molecular Formula C8H10O3

Additional synonyms for CHEMBL109652 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(OC)c1O
Standard InChI InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
Standard InChI Key KLIDCXVFHGNTTM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109652

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
154.2 154.063 1.56 2 38.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.97 - 1.22 1.22 1 11 0.7

Structural Alerts

There are no structural alerts for CHEMBL109652

Compound Cross References

ChemSpider ChemSpider:KLIDCXVFHGNTTM-UHFFFAOYSA-N
Wikipedia Syringol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109652



ACToR 91-10-1
BindingDB 50409535
Brenda 306 175154 95558 17914
ChEBI 955
eMolecules 503611
EPA CompTox Dashboard DTXSID2052607
FDA SRS 4UQT464H8K
Human Metabolome Database HMDB0034158
IBM Patent System CC83DCCBA23D3020546F1C9B65E3D5C5
KEGG Ligand C10787
Mcule MCULE-7938660756
Metabolights MTBLC955
MolPort MolPort-001-769-143
Nikkaji J27.321J
PDBe 3DM
PubChem 7041
PubChem: Thomson Pharma 14769473
SureChEMBL SCHEMBL156388
ZINC ZINC000000154666

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