Thermopsine; (±)-form
AlkaPlorer ID: AK287855
Synonym: None
IUPAC Name: 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
Structure
SMILES: O=C1C=CC=C2C3CC(CN21)C1CCCCN1C3
InChI: InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2
InChIKey: FQEQMASDZFXSJI-UHFFFAOYSA-N
Reference
Alkaloids of Ammodendron karelinii
PubChem CID: 92768
CAS: 486-90-8
LOTUS: LTS0180035
NPASS: NPC232091
COCONUT: CNP0418808.13
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sophora secundiflora | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Thermopsis rhombifolia | Thermopsis | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 244.338
TPSA？: 25.24
MolLogP？: 1.8199
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |