None
AlkaPlorer ID: AK322868
Synonym: None
IUPAC Name: None
Structure
SMILES: CO/N=C/C(=O)C1=CC=C(O/C=C/[C@H](C)C(=O)OC)C=C1
InChI: InChI=1S/C15H17NO5/c1-11(15(18)19-2)8-9-21-13-6-4-12(5-7-13)14(17)10-16-20-3/h4-11H,1-3H3/b9-8+,16-10+/t11-/m0/s1
InChIKey: AVHCGEZBXGVZNA-RMPLJOKMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia buxifolia | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 291.303
TPSA？: 74.19000000000001
MolLogP？: 2.2031
Number of H-Donors: 0
Number of H-Acceptors: 6
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 |