ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL463914
CHEMBL463914
Compound Name MANOALIDE
ChEMBL Synonyms Manoalide
Max Phase 0
Trade Names
Molecular Formula C25H36O5

Additional synonyms for CHEMBL463914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/CCC1=CC[C@@H](O[C@H]1O)C2=CC(=O)O[C@H]2O)\CCC3=C(C)CC ...
Download SMILES
Standard InChI InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9 ...
Download InChI
Standard InChI Key FGJIDQWRRLDGDB-CPIXEKRISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL463914

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
416.6 416.2563 5.65 7 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.75 - 2.43 2.42 0 30 0.41

Structural Alerts

There are 5 structural alerts for CHEMBL463914. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FGJIDQWRRLDGDB-CPIXEKRISA-N
Wikipedia Manoalide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL463914



BindingDB 50250399
ChEBI 66666
FDA SRS E1DK0157K9
Metabolights MTBLC66666
MolPort MolPort-020-000-975
Nikkaji J11.639D
PubChem 6437368
ZINC ZINC000005977595

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