Nigelladine B
AlkaPlorer ID: AK159253
Synonym: None
IUPAC Name: (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydrocyclopenta[g]quinolin-7-one
Structure
SMILES: CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=C3C=C12
InChI: InChI=1S/C19H25NO/c1-11(2)17-14-7-13-12(3)8-18(4,5)20-15(13)9-19(14,6)10-16(17)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1
InChIKey: ZNCHZFFUPFZQEP-IBGZPJMESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella glandulifera | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 283.415
TPSA？: 29.43
MolLogP？: 4.427700000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | Activity | nan | None | 10.1021/np4009078 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 9710.0 | nM | 10.1021/np4009078 |