Circumdatin G
AlkaPlorer ID: AK037192
Synonym: None
IUPAC Name: (7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Structure
SMILES: C[C@@H]1N=C(O)C2=CC=CC=C2N2C1=NC1=C(O)C=CC=C1C2=O
InChI: InChI=1S/C17H13N3O3/c1-9-15-19-14-11(6-4-8-13(14)21)17(23)20(15)12-7-3-2-5-10(12)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
InChIKey: VNCYXASDDCJEJE-VIFPVBQESA-N
Reference
Circumdatin G, a New Alkaloid from the Fungus <i>Aspergillus ochraceus</i>
PubChem CID: 10804637
LOTUS: LTS0206113
SuperNatural Ⅲ: SN0394755-01
NPASS: NPC92803
{NPAtlas: NPA013780
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 307.309
TPSA？: 87.71000000000001
MolLogP？: 2.4705000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | K562 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/np400132m |