(1R,11S,18R,20S,21S,22S)-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-17-ium-17-olate
AlkaPlorer ID: AK318439
Synonym: None
IUPAC Name: (4aR,5aS,8aS,13aR,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Structure
SMILES: O=C1C[C@@H]2OCC=C3C[N+]4([O-])CC[C@]56C7=CC=CC=C7N1[C@@H]5[C@H]2[C@H]3C[C@@H]64
InChI: InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20+,21+,23?/m0/s1
InChIKey: ADTDBAKUQAKBGZ-IQJCHXDOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos nitida | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos nux-vomica | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos ignatii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 350.41800000000006
TPSA？: 52.6
MolLogP？: 2.1051
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|