Chemistry and Stereochemistry of Speciociliatine

Field Value
Name Speciociliatine
Formula C23H30N2O4
CAS 14382-79-7
PubChem CID 15560576
UNII M3NN8Z8ZJW
Relationship C3 epimer of mitragynine (3R vs 3S)

Identity & stereochemistry

  • Speciociliatine — C₂₃H₃₀N₂O₄; CAS 14382-79-7; PubChem CID 15560576; FDA UNII M3NN8Z8ZJW. It is the C-3 epimer of mitragynine (R at C-3; mitragynine is S).
  • The epimerization alters ring conformation (β-methoxyacrylate orientation), which modeling suggests can increase MOR site interactions vs mitragynine — consistent with Kᵢ data.

    • Useful identifiers table

    Field Value
    Name Speciociliatine
    Formula C23H30N2O4
    CAS 14382-79-7
    PubChem CID 15560576
    UNII M3NN8Z8ZJW
    Relationship C3 epimer of mitragynine (3R vs 3S)