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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1079147
CHEMBL1079147
Compound Name TRIACONTANOL
ChEMBL Synonyms 1-Triacontanol
Max Phase 0
Trade Names
Molecular Formula C30H62O

Additional synonyms for CHEMBL1079147 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Standard InChI InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17- ...
Download InChI
Standard InChI Key REZQBEBOWJAQKS-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1079147

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
438.8 438.4801 12.83 28 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
- - 14.09 14.09 0 31 0.12

Structural Alerts

There are 9 structural alerts for CHEMBL1079147. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:REZQBEBOWJAQKS-UHFFFAOYSA-N
Wikipedia Triacontanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1079147



ACToR 593-50-0
ChEBI 28409
eMolecules 490840
EPA CompTox Dashboard DTXSID5029188
FDA SRS 767RD0E90B
IBM Patent System AE2494219425F76781D0946A251836E4
KEGG Ligand C08392
LipidMaps LMFA05000006
MolPort MolPort-003-939-655
Nikkaji J6.767I
PubChem 68972
PubChem: Thomson Pharma 15303607
SureChEMBL SCHEMBL16858
ZINC ZINC06920386

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