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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL443949
CHEMBL443949
Compound Name
ChEMBL Synonyms (E),(E)-2,4-Decacienal
Max Phase 0
Trade Names
Molecular Formula C10H16O

Additional synonyms for CHEMBL443949 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C\C=C\C=O
Standard InChI InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b ...
Download InChI
Standard InChI Key JZQKTMZYLHNFPL-BLHCBFLLSA-N

Structural Alerts

There are 15 structural alerts for CHEMBL443949. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL443949

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
152.2 152.1201 3.21 6 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.42 3.42 0 11 0.25

Compound Cross References

ChemSpider ChemSpider:JZQKTMZYLHNFPL-BLHCBFLLSA-N
PubChem SID: 144209092 SID: 144213482 SID: 17389395 SID: 26752740
Wikipedia (E,E)-2,4-Decadienal

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL443949



ACToR 25152-84-5 2363-88-4 30551-18-9
eMolecules 485994
EPA CompTox Dashboard DTXSID6024911
FDA SRS 3G88X2RK09
MolPort MolPort-003-927-283
Nikkaji J88.326C J80.457F J498.775F J88.325E
PubChem 5283349
PubChem: Thomson Pharma 14967772
SureChEMBL SCHEMBL229020
ZINC ZINC02014252

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