Pseudostrychnine
AlkaPlorer ID: AK005207
Synonym: None
IUPAC Name: (4aR,5aR,8aS,13aS,15aS,15bR)-5a-hydroxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Structure
SMILES: O=C1C[C@@H]2OCC=C3CN4CC[C@]56C7=CC=CC=C7N1[C@H]5[C@H]2[C@H]3C[C@]46O
InChI: InChI=1S/C21H22N2O3/c24-17-9-16-18-13-10-21(25)20(6-7-22(21)11-12(13)5-8-26-16)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2/t13-,16-,18-,19-,20-,21+/m0/s1
InChIKey: HCCFPODVEOBUMM-YOQTYQRRSA-N
Reference
Alkaloids from the leaves ofStrychnos icaja Baill.
PubChem CID: 21723446
LOTUS: LTS0063417
SuperNatural Ⅲ: SN0121540-06
NPASS: NPC22689
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos nux-vomica | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos icaja | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 350.41800000000006
TPSA？: 53.010000000000005
MolLogP？: 1.4125
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | SMMC-7721 | IC50 | 40000.0 | nM | 10.1021/np300339r |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1021/np300339r |