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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL170190
CHEMBL170190
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16O2

Additional synonyms for CHEMBL170190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\C(=O)O)\C)C
Standard InChI InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1- ...
Download InChI
Standard InChI Key ZHYZQXUYZJNEHD-VQHVLOKHSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL170190. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL170190

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
168.2 168.115 3.17 4 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.17 - 3.07 .85 0 12 0.52

Compound Cross References

ChemSpider ChemSpider:ZHYZQXUYZJNEHD-VQHVLOKHSA-N
PubChem SID: 14719307
Wikipedia Geranic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL170190



ChEBI 67264
eMolecules 507258
EPA CompTox Dashboard DTXSID10109997
FDA SRS 10797G3M5Y
IBM Patent System D26AD6CE0D565433207916C690891172
KEGG Ligand C16461
Mcule MCULE-1214369808
MolPort MolPort-001-769-750
Nikkaji J607F J400F
PDBe 58X
PubChem 5275520
PubChem: Thomson Pharma 15141029
SureChEMBL SCHEMBL358253

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