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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(= ...
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Standard InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14 ...
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Standard InChI Key OBSYBRPAKCASQB-AGQYDFLVSA-N

Structural Alerts

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

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 1.95 5 109.11 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 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 0.65

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
eMolecules 594243
FDA SRS T56W91NG6J
Guide to Pharmacology 1666
IBM Patent System 913DB4360BD857A27DCBF2E5601C7301
LINCS LSM-2433
Nikkaji J1.805.239C
PubChem 128563
PubChem: Thomson Pharma 16381046
SureChEMBL SCHEMBL39147
ZINC ZINC13607514

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