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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL258098
CHEMBL258098
Compound Name SALVINORIN B METHOXYMETHYL ETHER
ChEMBL Synonyms Salvinorin B Methoxymethyl Ether
Max Phase 0
Trade Names
Molecular Formula C23H30O8

Additional synonyms for CHEMBL258098 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCO[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/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)1 ...
Download InChI
Standard InChI Key KFVUSZPWUZBAPF-AGQYDFLVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL258098

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
434.5 434.1941 3.06 5 101.27 -


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
- - 1.61 1.61 1 31 0.51

Structural Alerts

There are 5 structural alerts for CHEMBL258098. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KFVUSZPWUZBAPF-AGQYDFLVSA-N
Wikipedia Salvinorin_B_methoxymethyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL258098



BindingDB 50374634
PubChem 44456192
ZINC ZINC000028120490

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