Favolasinin
AlkaPlorer ID: AK324901
Synonym: None
IUPAC Name: (2S)-7-chloro-2-[(2R)-2-methyl-5-oxooxolan-2-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
Structure
SMILES: C[C@]1([C@@H]2CC3=CC(C(N)=O)=CC(Cl)=C3O2)CCC(=O)O1
InChI: InChI=1S/C14H14ClNO4/c1-14(3-2-11(17)20-14)10-6-7-4-8(13(16)18)5-9(15)12(7)19-10/h4-5,10H,2-3,6H2,1H3,(H2,16,18)/t10-,14+/m0/s1
InChIKey: FNXGFNBLPFFNRD-IINYFYTJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Favolaschia sp. | Favolaschia | Mycenaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 295.72200000000004
TPSA？: 78.62000000000002
MolLogP？: 1.8381
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 169000.0 | nM | 10.1021/acs.jnatprod.9b00647 |
| Homo sapiens | MCF7 | IC50 | 169000.0 | nM | 10.1021/acs.jnatprod.9b00647 |
| Homo sapiens | NCI-H187 | IC50 | 169000.0 | nM | 10.1021/acs.jnatprod.9b00647 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 34000.0 | nM | 10.1021/acs.jnatprod.9b00647 |