Drug Information

Drug General Information
Drug ID
D0ZG9I
Former ID
DNC006847
Drug Name
Salvinorin A (ester)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528254]
Structure
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2D MOL

3D MOL
Formula
C23H28O8
Canonical SMILES
CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=<br />O)OC
InChI
1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15+,16+,17+,19+,22+,23+/m1/s1
InChIKey
OBSYBRPAKCASQB-FBCTZMOOSA-N
PubChem Compound ID
21589297
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528254]
KEGG Pathway Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Opioid prodynorphin pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 528254Bioorg Med Chem Lett. 2006 Sep 1;16(17):4679-85. Epub 2006 Jun 13.Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).
Ref 528254Bioorg Med Chem Lett. 2006 Sep 1;16(17):4679-85. Epub 2006 Jun 13.Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).

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