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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL524291
CHEMBL524291
Compound Name STERIGMATOCYSTIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H12O6

Additional synonyms for CHEMBL524291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2O[C@H]3OC=C[C@H]3c2c4Oc5cccc(O)c5C(=O)c14
Standard InChI InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15 ...
Download InChI
Standard InChI Key UTSVPXMQSFGQTM-DCXZOGHSSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL524291

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
324.3 324.0634 2.41 1 74.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.92 - 3.17 2.56 2 24 0.87

Structural Alerts

There are 3 structural alerts for CHEMBL524291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UTSVPXMQSFGQTM-DCXZOGHSSA-N
PubChem SID: 124690
Wikipedia Sterigmatocystin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL524291



Brenda 5649
ChEBI 18227
eMolecules 713394
FDA SRS 5F95211S5Z
IBM Patent System 4F81FCA6459B4ABB7B13F25DF07C905F
KEGG Ligand C00961
LipidMaps LMPK10000001
Mcule MCULE-8752748947
Metabolights MTBLC18227
MolPort MolPort-004-963-475
Nikkaji J9.276B
PubChem 5280389
Rhea 18227
SureChEMBL SCHEMBL620489
ZINC ZINC000005732865

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