Circumdatin C
AlkaPlorer ID: AK040464
Synonym: None
IUPAC Name: (7S)-3-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(O)=CC=C2N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C17H13N3O3/c1-9-15-19-13-5-3-2-4-11(13)17(23)20(15)14-7-6-10(21)8-12(14)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
InChIKey: RZQWOVDHZGSLCQ-VIFPVBQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 307.3090000000001
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 |
|---|