2,2,3a,6,6,8,9-heptamethyl-2H,3H,3aH,4H,6H-pyrrolo[2,3-g]quinolin-3-one
AlkaPlorer ID: AK159262
Synonym: None
IUPAC Name: (3aS)-2,2,3a,6,6,8,9-heptamethyl-4H-pyrrolo[2,3-g]quinolin-3-one
Structure
SMILES: CC1=CC(C)(C)N=C2C[C@]3(C)C(=O)C(C)(C)N=C3C(C)=C12
InChI: InChI=1S/C18H24N2O/c1-10-8-16(3,4)19-12-9-18(7)14(11(2)13(10)12)20-17(5,6)15(18)21/h8H,9H2,1-7H3/t18-/m0/s1
InChIKey: PFYZRZOUDJVNSM-SFHVURJKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella glandulifera | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 284.403
TPSA？: 41.79
MolLogP？: 3.6947000000000014
Number of H-Donors: 0
Number of H-Acceptors: 3
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 | 6440.0 | nM | 10.1021/np4009078 |