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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL513300
CHEMBL513300
Compound Name DEOXYNIVALENOL
ChEMBL Synonyms Deoxynivalenol
Max Phase 0
Trade Names
Molecular Formula C15H20O6

Additional synonyms for CHEMBL513300 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@ ...
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Standard InChI InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17 ...
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Standard InChI Key LINOMUASTDIRTM-QGRHZQQGSA-N

Structural Alerts

There are 11 structural alerts for CHEMBL513300. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL513300

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
296.3 296.126 -1.25 1 99.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.91 - -1.25 -1.25 0 21 0.56

Compound Cross References

ChemSpider ChemSpider:LINOMUASTDIRTM-QGRHZQQGSA-N
Wikipedia Vomitoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL513300



ACToR 51481-10-8 115825-61-1
eMolecules 26757232 474372
FDA SRS JT37HYP23V
Nikkaji J3.819I
PDBe 3J6
PubChem 40024
PubChem: Thomson Pharma 15047863
SureChEMBL SCHEMBL2694361
ZINC ZINC05457778

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