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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL402978
CHEMBL402978
Compound Name GINGEROL
ChEMBL Synonyms Gingerol | 6-Gingerol | [6]-gingerol
Max Phase 0
Trade Names
Molecular Formula C17H26O4

Additional synonyms for CHEMBL402978 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1
Standard InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(2 ...
Download InChI
Standard InChI Key NLDDIKRKFXEWBK-AWEZNQCLSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL402978

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
294.4 294.1831 3.64 10 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
10.02 - 2.86 2.86 1 21 0.65

Structural Alerts

There are 5 structural alerts for CHEMBL402978. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NLDDIKRKFXEWBK-AWEZNQCLSA-N
PubChem SID: 26756480 SID: 26756481
Wikipedia Gingerol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL402978



ACToR 23513-14-6
Brenda 63483 189572
ChEBI 10136
eMolecules 1934620
EPA CompTox Dashboard DTXSID3041035
FDA SRS 925QK2Z900
Guide to Pharmacology 2428
IBM Patent System 0198C797689CD0782D4B7ECF6B0F9C09
KEGG Ligand C10462
LINCS LSM-2569
Metabolights MTBLC10136
MolPort MolPort-006-822-484
Nikkaji J46.683B
PubChem 442793
PubChem: Thomson Pharma 16813919
SureChEMBL SCHEMBL32102
ZINC ZINC000001531846

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