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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152423
CHEMBL152423
Compound Name T-2 TOXIN
ChEMBL Synonyms T2 toxin
Max Phase 0
Trade Names
Molecular Formula C24H34O9

Additional synonyms for CHEMBL152423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@ ...
Download SMILES
Standard InChI InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)1 ...
Download InChI
Standard InChI Key BXFOFFBJRFZBQZ-QYWOHJEZSA-N

Structural Alerts

There are 12 structural alerts for CHEMBL152423. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL152423

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
466.5 466.2203 0.99 9 120.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 - 1.97 1.97 0 33 0.39

Compound Cross References

ChemSpider ChemSpider:BXFOFFBJRFZBQZ-QYWOHJEZSA-N
Wikipedia T-2_mycotoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152423



ACToR 21259-20-1
eMolecules 594898
FDA SRS I3FL5NM3MO
Nikkaji J3.789C
PubChem 5284461
SureChEMBL SCHEMBL7536392
ZINC ZINC16052538

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