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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL371463
CHEMBL371463
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H24O5

Additional synonyms for CHEMBL371463 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CCC[C@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1
Standard InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11 ...
Download InChI
Standard InChI Key FPQFYIAXQDXNOR-QDKLYSGJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL371463

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
320.4 320.1624 3.62 0 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.61 - 3.18 2.9 1 23 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL371463. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FPQFYIAXQDXNOR-QDKLYSGJSA-N
Wikipedia Zeranol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL371463



ACToR 36455-72-8
Brenda 68997
ChEBI 35065
eMolecules 474196
EPA CompTox Dashboard DTXSID8022402
FDA SRS 59D4EVJ5KC
Human Metabolome Database HMDB0041824
KEGG Ligand C14750
MolPort MolPort-003-925-058
Nikkaji J3.201.624C
PDBe 36J
PubChem 5284645
PubChem: Thomson Pharma 14874708
SureChEMBL SCHEMBL109175
ZINC ZINC000004025169

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