11-methoxy-2,2-dimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one
AlkaPlorer ID: AK037318
Synonym: None
IUPAC Name: 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Structure
SMILES: COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)C1=CC=CC=C1N2
InChI: InChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21)
InChIKey: NEYQKEUFRBPEJP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycosmis parviflora | Glycosmis | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 307.349
TPSA？: 51.32
MolLogP？: 3.874100000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
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 | A549 | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Homo sapiens | CCRF-HSB-2 | IC50 | 40000.0 | nM | 10.1021/np980504z |
| 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 | TGBC11TKB | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Mus musculus | B16 | IC50 | 40000.0 | nM | 10.1021/np980504z |