Xylogranatinin
AlkaPlorer ID: AK082972
Synonym: ''
IUPAC Name: 9-hydroxy-3-methoxypyrido[1,2-a]pyrazin-6-one
Structure
SMILES: COC1=CN2C(=O)C=CC(O)=C2C=N1
InChI: InChI=1S/C9H8N2O3/c1-14-8-5-11-6(4-10-8)7(12)2-3-9(11)13/h2-5,12H,1H3
InChIKey: ATJLTTDKKHOYFB-UHFFFAOYSA-N
Reference
Granatumins A−G, Limonoids from the Seeds of a Krishna Mangrove, <i>Xylocarpus granatum</i>
PubChem CID: 136987006
CAS: 1000974-03-7
LOTUS: LTS0112747
COCONUT: CNP0241843
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epimedium grandiflorum | Epimedium | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 192.174
TPSA？: 63.83
MolLogP？: 0.4086999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | IC50 | 50000.0 | nM | 10.1021/np400831p |