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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL507308
CHEMBL507308
Compound Name PUNICAFOLIN
ChEMBL Synonyms Punicafolin
Max Phase 0
Trade Names
Molecular Formula C41H30O26

Additional synonyms for CHEMBL507308 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4 ...
Download SMILES
Standard InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33- ...
Download InChI
Standard InChI Key DPBVYZVSXAZMAY-UUUCSUBKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL507308

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
938.7 938.1025 3.76 9 444.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
26 15 3 26 15 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.46 - 3.19 2.84 5 67 0.07

Structural Alerts

There are 9 structural alerts for CHEMBL507308. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPBVYZVSXAZMAY-UUUCSUBKSA-N
Wikipedia Punicafolin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL507308



ACToR 88847-11-4
Brenda 37405
Nikkaji J339.286D
PubChem 5320800
PubChem: Thomson Pharma 15015375
ZINC ZINC000169291890

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