2,2,4-trimethyl-6,8a-bis(propan-2-yl)-2H,7H,8H,8aH,9H-cyclopenta[g]quinolin-7-one
AlkaPlorer ID: AK159257
Synonym: None
IUPAC Name: (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one
Structure
SMILES: CC1=CC(C)(C)N=C2C[C@]3(C(C)C)CC(=O)C(C(C)C)=C3C=C12
InChI: InChI=1S/C21H29NO/c1-12(2)19-16-8-15-14(5)9-20(6,7)22-17(15)10-21(16,13(3)4)11-18(19)23/h8-9,12-13H,10-11H2,1-7H3/t21-/m1/s1
InChIKey: ODJKLTMZWLSOQR-OAQYLSRUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella glandulifera | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.46900000000005
TPSA？: 29.43
MolLogP？: 5.063800000000005
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 | 16850.0 | nM | 10.1021/np4009078 |