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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL510139
CHEMBL510139
Compound Name CITRININ
ChEMBL Synonyms Citrinin
Max Phase 0
Trade Names
Molecular Formula C13H14O5

Additional synonyms for CHEMBL510139 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O
Standard InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)1 ...
Download InChI
Standard InChI Key CQIUKKVOEOPUDV-IYSWYEEDSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL510139. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL510139

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
250.3 250.0841 0.93 1 83.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.52 - 4.54 -.19 0 18 0.68

Compound Cross References

ChemSpider ChemSpider:CQIUKKVOEOPUDV-IYSWYEEDSA-N
PubChem SID: 50109898 SID: 67122
Wikipedia Citrinin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL510139



ChEBI 48707
eMolecules 474370
FDA SRS 3S697X6SNZ
Human Metabolome Database HMDB41857
KEGG Ligand C16765
Nikkaji J1.573C
PubChem: Thomson Pharma 16217037
SureChEMBL SCHEMBL157775

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