Nocazine C
AlkaPlorer ID: AK002396
Synonym: None
IUPAC Name: (3S,6Z)-3-benzyl-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
Structure
SMILES: COC1=CC=C(/C=C2/C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N2C)C=C1
InChI: InChI=1S/C20H20N2O3/c1-22-18(13-15-8-10-16(25-2)11-9-15)19(23)21-17(20(22)24)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)/b18-13-/t17-/m0/s1
InChIKey: LNJXHMVOPQVJDF-XIDKLXSXSA-N
Reference
PubChem CID: 56600878
LOTUS: LTS0122160
SuperNatural Ⅲ: SN0210291-03
NPASS: NPC9373
{NPAtlas: NPA000042
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardiopsis dassonvillei | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 336.3910000000001
TPSA？: 58.64
MolLogP？: 2.2356
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC5 | 100.0 | uM | 10.1021/np200597m |
| Homo sapiens | HL-60 | IC50 | 100000.0 | nM | 10.1021/np200597m |