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ChEMBL Statistics
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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 ...
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Standard InChI InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)1 ...
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Standard InChI Key KLLYDTMVSVIJEH-YYMOATHLSA-N

Structural Alerts

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

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

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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