(-)-cereoaldomine
AlkaPlorer ID: AK083702
Synonym: None
IUPAC Name: (2S)-6,7-dihydroxy-5-imino-2,3,3-trimethyl-4-oxo-2H-benzo[g][1]benzofuran-9-carbaldehyde
Structure
SMILES: C[C@@H]1OC2=C(C(=O)C(=N)C3=C(O)C(O)=CC(C=O)=C23)C1(C)C
InChI: InChI=1S/C16H15NO5/c1-6-16(2,3)11-14(21)12(17)10-9(15(11)22-6)7(5-18)4-8(19)13(10)20/h4-6,17,19-20H,1-3H3/t6-/m0/s1
InChIKey: LCSBVTRDUJHTLY-LURJTMIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coniothyrium | Coniothyriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 301.29800000000006
TPSA？: 107.68
MolLogP？: 2.01687
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Carica papaya | Papain | IC50 | 50000.0 | nM | 10.1021/np2004227 |
| Electrophorus electricus | Acetylcholinesterase | IC50 | 50000.0 | nM | 10.1021/np2004227 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np2004227 |
| Homo sapiens | Leukocyte elastase | IC50 | 3010.0 | nM | 10.1021/np2004227 |
| Homo sapiens | Thrombin | IC50 | 50000.0 | nM | 10.1021/np2004227 |
| Mus musculus | L929 | Activity | nan | None | 10.1021/np2004227 |
| Mycolicibacterium phlei | Mycolicibacterium phlei | Activity | nan | None | 10.1021/np2004227 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np2004227 |
| None | Unchecked | IC50 | 50000.0 | nM | 10.1021/np2004227 |