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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

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

Structural Alerts

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

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 J498.775F J80.457F 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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