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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL507965
CHEMBL507965
Compound Name TERFLAVIN B
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H24O22

Additional synonyms for CHEMBL507965 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c3cc(O)c(O)c ...
Download SMILES
Standard InChI InChI=1S/C34H24O22/c35-9-1-6(2-10(36)19(9)39)30(47)52-5-13-2 ...
Download InChI
Standard InChI Key UKIPVDAOZKIZJT-RPMOVZCCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL507965

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
784.5 784.0759 0.03 6 385.24 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
22 13 3 22 13 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.63 - -.86 -5.96 6 56 0.05

Structural Alerts

There are 10 structural alerts for CHEMBL507965. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UKIPVDAOZKIZJT-RPMOVZCCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL507965



PubChem 44584734

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