Sclerotigenin
AlkaPlorer ID: AK024002
Synonym: 6,7-Dihydroquinolino[3,2-a][1,4]benzodiazepine-5,13-dione
IUPAC Name: 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Structure
SMILES: O=C1C2=CC=CC=C2N=C2CN=C(O)C3=CC=CC=C3N21
InChI: InChI=1S/C16H11N3O2/c20-15-11-6-2-4-8-13(11)19-14(9-17-15)18-12-7-3-1-5-10(12)16(19)21/h1-8H,9H2,(H,17,20)
InChIKey: NGYKOTTXJAPLPC-UHFFFAOYSA-N
Reference
PubChem CID: 10802469
CAS: 65641-84-1
LOTUS: LTS0085972
SuperNatural Ⅲ: SN0245240
NPASS: NPC88970
COCONUT: CNP0361521
{NPAtlas: NPA002655
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sclerotigenum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 277.283
TPSA？: 67.47999999999999
MolLogP？: 2.2039
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00259 |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00259 |
| Helicoverpa zea | Helicoverpa zea | Activity | 42.0 | % | 10.1021/np980511n |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 5800.0 | nM | 10.1021/acs.jnatprod.9b00259 |
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00259 |
| Homo sapiens | HCT-116 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00259 |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00259 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00259 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00259 |
| None | Unchecked | CC50 | 200000.0 | nM | 10.1021/acs.jnatprod.9b00259 |
| None | Unchecked | Ratio CC50/EC50 | 35.0 | None | 10.1021/acs.jnatprod.9b00259 |