17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,¹?]henicosa-1,3,8,10,12,14,16,19-octaen-18-one
AlkaPlorer ID: AK269403
Synonym: None
IUPAC Name: 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-1-one
Structure
SMILES: COC1=CC=C2C(=CN(C)C3=C2C=CC2=CC4=C(C=C23)OCO4)C1=O
InChI: InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3
InChIKey: RSCIYYHIBVZXDI-UHFFFAOYSA-N
Reference
Alkaloids from Fagara mayu bark
PubChem CID: 9951230
LOTUS: LTS0185614
COCONUT: CNP0317106
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Macleaya cordata | Macleaya | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 333.34300000000013
TPSA？: 49.690000000000005
MolLogP？: 3.533800000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1020.0 | nM | 10.1016/s0960-894x(97)10190-1 |
| Homo sapiens | HCT-15 | IC50 | 1120.0 | nM | 10.1016/s0960-894x(97)10190-1 |
| Homo sapiens | HeLa | IC50 | 320.0 | nM | 10.1016/s0960-894x(00)00467-4 |
| Homo sapiens | SK-MEL-2 | IC50 | 2750.0 | nM | 10.1016/s0960-894x(97)10190-1 |
| Homo sapiens | SK-OV-3 | IC50 | 1350.0 | nM | 10.1016/s0960-894x(97)10190-1 |
| Homo sapiens | XF498 | IC50 | 1120.0 | nM | 10.1016/s0960-894x(97)10190-1 |