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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509309
CHEMBL509309
Compound Name AZADIRACTIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H44O16

Additional synonyms for CHEMBL509309 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@]1(O)OC[C@@]23[C@H](C[C@@H](OC(=O)C)[C@]4(CO[C@@H ...
Download SMILES
Standard InChI InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32 ...
Download InChI
Standard InChI Key FTNJWQUOZFUQQJ-NDAWSKJSSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL509309

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
720.7 720.2629 -0.2 6 215.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 3 2 16 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.78 - -.03 -.03 0 51 0.14

Structural Alerts

There are 14 structural alerts for CHEMBL509309. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FTNJWQUOZFUQQJ-NDAWSKJSSA-N
PubChem SID: 26757140

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509309



ACToR 170906-04-4 11141-17-6
ChEBI 2942
EPA CompTox Dashboard DTXSID0037497
FDA SRS O4U1SAF85H
KEGG Ligand C08748
LipidMaps LMPR0106100001
Metabolights MTBLC2942
MolPort MolPort-044-561-890
Nikkaji J649.024G
PubChem 5281303
PubChem: Thomson Pharma 16189124
SureChEMBL SCHEMBL27784
ZINC ZINC000008221317

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