SALVINORIN A

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: T56W91NG6J

Structure
InChI Key OBSYBRPAKCASQB-AGQYDFLVSA-N
Smile COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChI
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-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28O8
Molecular Weight 432.47
AlogP 3.0
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 109.11
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
0-45 - - 1-38 -

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 83729-01-5
ChEBI 67900
ChEMBL CHEMBL445332
DrugBank DB12327
EPA CompTox DTXSID80232584
FDA SRS T56W91NG6J
Guide to Pharmacology 1666
PubChem 128563
SureChEMBL SCHEMBL39147
ZINC ZINC000013607514
CONTENTS