None
AlkaPlorer ID: AK322867
Synonym: None
IUPAC Name: None
Structure
SMILES: CO/N=C/C(=O)C1=CC=C(O)C=C1
InChI: InChI=1S/C9H9NO3/c1-13-10-6-9(12)7-2-4-8(11)5-3-7/h2-6,11H,1H3/b10-6+
InChIKey: XOCPEQUPCZNFGR-UXBLZVDNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia buxifolia | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 179.17499999999998
TPSA？: 58.89
MolLogP？: 1.2070999999999998
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | HepG2 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | MDA-MB-231 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | Neutrophil | IC50 | 4800.0 | nM | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | Neutrophil | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.7b00938 |