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ChEMBL Statistics
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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

Structural Alerts

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

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

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
BindinDB 50317427
ChEBI 10136
eMolecules 1934620
FDA SRS 925QK2Z900
IBM Patent System 0198C797689CD0782D4B7ECF6B0F9C09
IBM Patents WO2009050479A1 WO2001095902A1 US20040231684 US20070237804 US20020173436 WO2006130733A2 EP1498132A1 US7776923 US20070054023 EP2028949A2 US20100203190 WO2008060949A2 US20100136165 WO2006127077A3 US20040141927 US20060034936 EP1510511A1 WO2006127079A3 US20080063748 US20060159818 US20050181022 WO2007104985A1 EP0750908A1 US20070253930 WO2007089316A2 WO2007115050A2 US20090017101 WO2007042472A1 US20060034894 US20040185035 WO1999020589A1 US7262296 US20060177384 EP2238964A2 EP1906747A2 US20050025721 US20060160713 EP1959750A2 EP1906751A1 WO2009016374A1 EP1178736A1 EP1693057B1 WO2006127077A2 WO2006127689A8 WO2000035466A1 US7704692 EP1959757A2 EP1937366A1 US20050042249 US20090304857 US7728043 US20080038386 US20070083245 WO2008019685A1 WO2006127559A2 WO2007084185A1 US20060263472 US20060024245 EP1612201A1 US20040220644 US20080287350 US6899901 US7452557 US6051235 WO1997002273A1 US20070253941 EP2032171A2 US7117033 WO2010060660A1 WO2009070570A1 EP1562893B1 EP2171048A1 US20050201956 EP0811629B1 US20060172021 US20090098241 US7658941 EP1965655A1 EP2120843A1 WO2009135109A1 EP1924149A2 US20080167700 US20100184863 EP1761238A1 US5880301 WO2007085428A3 US20060074108 WO2009108769A2 US20070053972 WO2010100524A2 EP1774954A2 WO2009073477A1 WO2006127602A2 US20050192342 EP1947958A2 EP1399120A1 EP1895849A1 EP1813310A2 WO2006073457A2 EP1800651A1
KEGG Ligand C10462
LINCS LSM-2569
MolPort MolPort-006-822-484
Nikkaji J46.683B
PubChem 442793
PubChem: Thomson Pharma 16813919
SureChEMBL SCHEMBL32102
ZINC ZINC01531846

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