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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL101506
CHEMBL101506
Compound Name PINOSYLVIN
ChEMBL Synonyms Pinosylvin
Max Phase 0
Trade Names
Molecular Formula C14H12O2

Additional synonyms for CHEMBL101506 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)cc(\C=C\c2ccccc2)c1
Standard InChI InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5 ...
Download InChI
Standard InChI Key YCVPRTHEGLPYPB-VOTSOKGWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL101506

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
212.2 212.0837 3.33 2 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.34 - 3.23 3.23 2 16 0.75

Structural Alerts

There are 3 structural alerts for CHEMBL101506. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YCVPRTHEGLPYPB-VOTSOKGWSA-N
Wikipedia Pinosylvin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL101506



ACToR 22139-77-1 102-61-4
BindingDB 50045924
Brenda 91316 10883
ChEBI 17323
eMolecules 871994
FDA SRS 881R434AIB
KEGG Ligand C01745
LINCS LSM-44081
LipidMaps LMPK13090001
MolPort MolPort-000-880-993
Nikkaji J10.798K J314.538G
PubChem 5280457
PubChem: Thomson Pharma 14797745
Rhea 17323
SureChEMBL SCHEMBL454262
ZINC ZINC000000901115

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