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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL451717
CHEMBL451717
Compound Name 1-EICOSANOL
ChEMBL Synonyms 1-Eicosanol | Nonadecan-1-ol
Max Phase 0
Trade Names
Molecular Formula C20H42O

Additional synonyms for CHEMBL451717 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCO
Standard InChI InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17- ...
Download InChI
Standard InChI Key BTFJIXJJCSYFAL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL451717

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
298.6 298.3236 8.27 18 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.99 8.99 0 21 0.25

Structural Alerts

There are 9 structural alerts for CHEMBL451717. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BTFJIXJJCSYFAL-UHFFFAOYSA-N
Wikipedia Arachidyl_alcohol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL451717



ACToR 28679-05-2 629-96-9
Brenda 42904 29982
ChEBI 75627
eMolecules 490529
EPA CompTox Dashboard DTXSID0027272
FDA SRS 1QR1QRA9BU
Human Metabolome Database HMDB0011619
IBM Patent System 3F03FC7B5A9CC5E5DBC1FE5312EC0D2B
LipidMaps LMFA05000221
Mcule MCULE-7922551976
Metabolights MTBLC75627
MolPort MolPort-003-928-300
Nikkaji J11.549E
NMRShiftDB 10008808
PubChem 12404
PubChem: Thomson Pharma 14873700
Rhea 75627
SureChEMBL SCHEMBL108302
ZINC ZINC000032840992

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