3-{2,2-dimethyl-1H,2H-benzo[f]isoquinolin-4-yl}-2H-chromen-2-one
AlkaPlorer ID: AK110058
Synonym: None
IUPAC Name: 3-(2,2-dimethyl-1H-benzo[f]isoquinolin-4-yl)chromen-2-one
Structure
SMILES: CC1(C)CC2=C3C=CC=CC3=CC=C2C(C2=CC3=CC=CC=C3OC2=O)=N1
InChI: InChI=1S/C24H19NO2/c1-24(2)14-20-17-9-5-3-7-15(17)11-12-18(20)22(25-24)19-13-16-8-4-6-10-21(16)27-23(19)26/h3-13H,14H2,1-2H3
InChIKey: HOPYKEDKCXFOLI-UHFFFAOYSA-N
Reference
Anti-inflammatory flavone and chalcone derivatives from the roots of Pongamia pinnata (L.) Pierre
PubChem CID: 1531666
SuperNatural Ⅲ: SN0328840
COCONUT: CNP0373028
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 353.4210000000001
TPSA？: 42.57
MolLogP？: 5.118300000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 7079.5 | nM | None |
| Homo sapiens | Geminin | Potency | 29092.9 | nM | None |
| Homo sapiens | HEK293 | Potency | 12990.0 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 35481.3 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 28183.8 | nM | None |
| Homo sapiens | Parathyroid hormone receptor | Potency | 112201.8 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18356.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25929.0 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 11220.2 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 5858.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| None | Unchecked | EC50 | 11144.0 | nM | None |
| None | Unchecked | EC50 | 21486.0 | nM | None |
| None | Unchecked | EC50 | 120000.0 | nM | None |
| None | Unchecked | Potency | 920.0 | nM | None |
| None | Unchecked | Potency | 4466.8 | nM | None |
| None | Unchecked | Potency | 5802.4 | nM | None |
| None | Unchecked | Potency | 6513.1 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |