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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL463145
CHEMBL463145
Compound Name NORARTOCARPETIN
ChEMBL Synonyms Norartocarpetin
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL463145 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(C2=CC(=O)c3c(O)cc(O)cc3O2)c(O)c1
Standard InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19) ...
Download InChI
Standard InChI Key ZSYPIPFQOQGYHH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL463145

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
286.2 286.0477 2.28 1 111.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.48 - 1.8 .55 3 21 0.55

Structural Alerts

There are 3 structural alerts for CHEMBL463145. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZSYPIPFQOQGYHH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL463145



ACToR 520-30-9
BindingDB 50269559
Brenda 86648 11879
EPA CompTox Dashboard DTXSID00199963
Human Metabolome Database HMDB0030543
IBM Patent System 29A242CFE178A073D50757F4B23CE430
LipidMaps LMPK12110941
Nikkaji J11.597E
PubChem 5481970
PubChem: Thomson Pharma 57578820
SureChEMBL SCHEMBL1546435

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