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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL272939
CHEMBL272939
Compound Name SALVINORIN B ETHOXYMETHYL ETHER
ChEMBL Synonyms Salvinorin B Ethoxymethyl Ether
Max Phase 0
Trade Names
Molecular Formula C24H32O8

Additional synonyms for CHEMBL272939 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@ ...
Download SMILES
Standard InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6 ...
Download InChI
Standard InChI Key ICVTXAUKIHJDGV-WFOQEEKOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL272939

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
448.5 448.2097 2.18 7 101.27 -


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
- - 2.12 2.12 1 32 0.36

Structural Alerts

There are 6 structural alerts for CHEMBL272939. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICVTXAUKIHJDGV-WFOQEEKOSA-N
Wikipedia Salvinorin_B_ethoxymethyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL272939



BindingDB 50374645
PubChem 24873526
PubChem: Thomson Pharma 50128664
ZINC ZINC000029130275

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