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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL457148
CHEMBL457148
Compound Name RHAMNAZIN
ChEMBL Synonyms Rhamnazin
Max Phase 0
Trade Names
Molecular Formula C17H14O7

Additional synonyms for CHEMBL457148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(OC)c3)O
Standard InChI InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(1 ...
Download InChI
Standard InChI Key MYMGKIQXYXSRIJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL457148

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
330.3 330.074 2.08 3 105.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.15 - 3.6 2.39 2 24 0.79

Structural Alerts

There are 4 structural alerts for CHEMBL457148. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MYMGKIQXYXSRIJ-UHFFFAOYSA-N
PubChem SID: 517559
Wikipedia Rhamnazin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL457148



ACToR 552-54-5
BindingDB 50292355
Brenda 163960
ChEBI 133721
eMolecules 36095553
EPA CompTox Dashboard DTXSID00203695
FDA SRS 276CK9GP9Y
IBM Patent System 542BF18BFB6C6E24BBECE5512F71C078
LipidMaps LMPK12112641
Metabolights MTBLC133721
Nikkaji J146.439F
PubChem 5320945
PubChem: Thomson Pharma 14899772
SureChEMBL SCHEMBL39443
ZINC ZINC000006403375

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