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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
Human Metabolome Database HMDB0133830
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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