strychnine   

GtoPdb Ligand ID: 347

Synonyms: sanaseed | strychnin
Comment: Strychnine is a neurotoxin.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 32.78
Molecular weight 334.17
XLogP 0.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3
Isomeric SMILES O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3
InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N
Classification
Compound class Natural product or derivative
IUPAC Name
(1R,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2,4,6,14-tetraen-9-one
Synonyms
sanaseed | strychnin
Comments
Strychnine is a neurotoxin.
Database Links
BitterDB Ligand 100
CAS Registry No. 57-24-9
ChEBI CHEBI:28973
ChEMBL Ligand CHEMBL227934
DrugCentral Ligand 2484
GtoPdb PubChem SID 135652718
PubChem CID 441071
RCSB PDB Ligand SY9
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Wikipedia Strychnine