6-[(Dibutylammonio)methyl]-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-olate
AlkaPlorer ID: AK353722
Synonym: None
IUPAC Name: 6-[(dibutylamino)methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Structure
SMILES: CCCCN(CCCC)CC1=C(O)C=CC2=C1OC(=O)C1=C2CCC1
InChI: InChI=1S/C21H29NO3/c1-3-5-12-22(13-6-4-2)14-18-19(23)11-10-16-15-8-7-9-17(15)21(24)25-20(16)18/h10-11,23H,3-9,12-14H2,1-2H3
InChIKey: CGVJGBMMZOCHCU-UHFFFAOYSA-N
Reference
PubChem CID: 5322224
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 343.46700000000016
TPSA？: 53.68
MolLogP？: 4.389500000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 7943.3 | nM | None |
| Homo sapiens | Alpha-galactosidase A | Potency | 35481.3 | nM | None |
| Homo sapiens | Alpha-galactosidase A | Potency | 39810.7 | nM | None |
| Homo sapiens | Alpha-synuclein | Potency | 35481.3 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 16353.5 | nM | None |
| Homo sapiens | Beta-glucocerebrosidase | Potency | 28183.8 | nM | None |
| Homo sapiens | Geminin | Potency | 18356.4 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 6309.6 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 44668.4 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 12589.3 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 25118.9 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 31622.8 | nM | None |
| Homo sapiens | Rap guanine nucleotide exchange factor 3 | Potency | 56234.1 | nM | None |
| Homo sapiens | TAR DNA-binding protein 43 | Potency | 281.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 11582.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23109.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 1651.1 | nM | None |
| Plasmodium falciparum FcB1/Columbia | Zinc aminopeptidase | IC50 | 54220.0 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 56234.1 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 89125.1 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 44668.4 | nM | None |
| None | Unchecked | Potency | 3548.1 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |