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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL268685
CHEMBL268685
Compound Name ASPHODELIN A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL268685 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(C(=O)Oc2cc(O)ccc12)c3ccc(O)cc3O
Standard InChI InChI=1S/C15H10O6/c16-7-1-3-9(11(18)5-7)13-14(19)10-4-2-8(17 ...
Download InChI
Standard InChI Key OZOZCKVLUMXFGS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL268685

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
286.2 286.0477 2.28 1 111.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 3.24 .19 3 21 0.51

Structural Alerts

There are 4 structural alerts for CHEMBL268685. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZOZCKVLUMXFGS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL268685



ChEBI 65453
EPA CompTox Dashboard DTXSID60715668
Metabolights MTBLC65453
Nikkaji J2.435.831C
PubChem 54679752
PubChem: Thomson Pharma 24751714

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