KURASOIN B
AlkaPlorer ID: AK338061
Synonym: None
IUPAC Name: 1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione
Structure
SMILES: O=C(CC1=CC=CC=C1)C(=O)CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2
InChIKey: AWNMAACWZSNOOV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 277.323
TPSA？: 49.93
MolLogP？: 3.0913000000000013
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dopamine transporter | Inhibition | nan | % | 10.1016/j.bmcl.2013.06.088 |
| Homo sapiens | Norepinephrine transporter | Ki | 2757.0 | nM | 10.1016/j.bmcl.2013.06.088 |
| Homo sapiens | Protein farnesyltransferase | IC50 | 59000.0 | nM | 10.1016/j.bmcl.2013.06.088 |
| Homo sapiens | Serotonin transporter | Inhibition | nan | % | 10.1016/j.bmcl.2013.06.088 |