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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1086682
CHEMBL1086682
Compound Name
ChEMBL Synonyms (-)-Rhododendrin
Max Phase 0
Trade Names
Molecular Formula C16H24O7

Additional synonyms for CHEMBL1086682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCc1ccc(O)cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H ...
Download SMILES
Standard InChI InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)1 ...
Download InChI
Standard InChI Key KLLYDTMVSVIJEH-YYMOATHLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1086682

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
328.4 328.1522 0.39 6 119.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.08 - -.46 -.46 1 23 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL1086682. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KLLYDTMVSVIJEH-YYMOATHLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1086682



ACToR 497-78-9
ChEBI 8832
FDA SRS 5I7QR8C454
KEGG Ligand C09965
Nikkaji J142.196D
PubChem 442538
PubChem: Thomson Pharma 16000965

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