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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL451699
CHEMBL451699
Compound Name PLICATIN B
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H18O3

Additional synonyms for CHEMBL451699 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)\C=C\c1ccc(O)c(CC=C(C)C)c1
Standard InChI InChI=1S/C15H18O3/c1-11(2)4-7-13-10-12(5-8-14(13)16)6-9-15(1 ...
Download InChI
Standard InChI Key LZEOAWXRNGQEHO-RMKNXTFCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL451699

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
246.3 246.1256 3.77 5 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 - 4.08 4.08 1 18 0.49

Structural Alerts

There are 7 structural alerts for CHEMBL451699. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LZEOAWXRNGQEHO-RMKNXTFCSA-N
Wikipedia Plicatin_B

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL451699



ACToR 72704-01-9
Brenda 215885
Nikkaji J445.247J
PubChem 6438704
PubChem: Thomson Pharma 15094194
SureChEMBL SCHEMBL1227605

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