Squamolone
AlkaPlorer ID: AK022827
Synonym: 2-Oxo-1-pyrrolidinecarboxamide, 1-Carbamoyl-2-pyrrolidone
IUPAC Name: 2-oxopyrrolidine-1-carboxamide
Structure
SMILES: N=C(O)N1CCCC1=O
InChI: InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)
InChIKey: XYVMBSCIEDOIJQ-UHFFFAOYSA-N
Reference
Annosqualine: A Novel Alkaloid from the Stems of Annona squamosa.
PubChem CID: 326996
CAS: 40451-67-0
LOTUS: LTS0107936
SuperNatural Ⅲ: SN0443725
NPASS: NPC204607
COCONUT: CNP0193817
Source
Properties Information
Molecule Weight: 128.131
TPSA?: 64.39
MolLogP?: 0.1015699999999999
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 2.8 | ug.mL-1 | 10.1021/np010036k |
| Homo sapiens | Thrombin | Activity | nan | None | 10.1021/np010036k |
| None | NON-PROTEIN TARGET | IC50 | 1.6 | ug.mL-1 | 10.1021/np010036k |
