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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL262344
CHEMBL262344
Compound Name BAKUCHIOL
ChEMBL Synonyms (S)-Bakuchiol | Bakuchiol
Max Phase 0
Trade Names
Molecular Formula C18H24O

Additional synonyms for CHEMBL262344 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC[C@@](C)(C=C)\C=C\c1ccc(O)cc1)C
Standard InChI InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19 ...
Download InChI
Standard InChI Key LFYJSSARVMHQJB-QIXNEVBVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL262344

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
256.4 256.1827 5.35 6 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
10.1 - 6.55 6.55 1 19 0.68

Structural Alerts

There are 5 structural alerts for CHEMBL262344. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LFYJSSARVMHQJB-QIXNEVBVSA-N
PubChem SID: 514220
Wikipedia Bakuchiol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL262344



ACToR 10309-37-2
eMolecules 2726691
FDA SRS OT12HJU3AR
Mcule MCULE-2966810763
Nikkaji J15.045B
PubChem 5468522
PubChem: Drugs of the Future 12015372
PubChem: Thomson Pharma 15392250
SureChEMBL SCHEMBL9921172
ZINC ZINC000001644304

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