17-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,?.0?,²?.0¹?,¹?]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
AlkaPlorer ID: AK057752
Synonym: None
IUPAC Name: 17-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
Structure
SMILES: O=C1C2=CC=C(O)C=C2C2=C3C1=NC=CC3=CC1=C2OCO1
InChI: InChI=1S/C17H9NO4/c19-9-1-2-10-11(6-9)14-13-8(3-4-18-15(13)16(10)20)5-12-17(14)22-7-21-12/h1-6,19H,7H2
InChIKey: BCIADXOEPDQMOD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylopia aethiopica | Xylopia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 291.26200000000006
TPSA？: 68.65
MolLogP？: 2.8805000000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA topoisomerase II alpha | IC50 | 12.5 | ug.mL-1 | 10.1021/np50103a009 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | 72.0 | ug ml-1 | 10.1021/np50103a009 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | 295.0 | ug ml-1 | 10.1021/np50103a009 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np50103a009 |