ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2332673
CHEMBL2332673
Compound Name AVICULIN
ChEMBL Synonyms Aviculin
Max Phase 0
Trade Names
Molecular Formula C26H34O10

Additional synonyms for CHEMBL2332673 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O) ...
Download SMILES
Standard InChI InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17 ...
Download InChI
Standard InChI Key FPJFPMQEUVMUKU-CDDCGRQRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2332673

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
506.6 506.2152 0.87 7 158.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 2 10 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.08 - .57 .57 2 36 0.32

Structural Alerts

There are 1 structural alerts for CHEMBL2332673. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FPJFPMQEUVMUKU-CDDCGRQRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2332673



Nikkaji J608.976C
PubChem 10391477
PubChem: Thomson Pharma 15407129
ZINC ZINC000095586842

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