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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL445332
CHEMBL445332
Compound Name SALVINORIN A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28O8

Additional synonyms for CHEMBL445332 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]3C(= ...
Download SMILES
Standard InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14 ...
Download InChI
Standard InChI Key OBSYBRPAKCASQB-AGQYDFLVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL445332

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
432.5 432.1784 3 3 109.11 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.14 2.14 1 31 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL445332. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OBSYBRPAKCASQB-AGQYDFLVSA-N
PubChem SID: 26755778 SID: 29216411
Wikipedia Salvinorin_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL445332



ACToR 83729-01-5
BindingDB 50159165
ChEBI 67900
DrugBank DB12327
eMolecules 594243
EPA CompTox Dashboard DTXSID80232584
FDA SRS T56W91NG6J
Guide to Pharmacology 1666
IBM Patent System 913DB4360BD857A27DCBF2E5601C7301
LINCS LSM-2433
Metabolights MTBLC67900
Nikkaji J1.805.239C
PubChem 128563
PubChem: Thomson Pharma 16381046
SureChEMBL SCHEMBL39147
ZINC ZINC000013607514

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