Glycosminine
AlkaPlorer ID: AK013648
Synonym: 'SMR000275252', 'Glycosminine', 'Glycophymine', 'N-Demethylarborine', 'MLS000715273'
IUPAC Name: 2-benzyl-3H-quinazolin-4-one
Structure
SMILES: OC1=NC(CC2=CC=CC=C2)=NC2=CC=CC=C12
InChI: InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKey: ZDUVLDCZFKNYHH-UHFFFAOYSA-N
Reference
Glycophymoline, a new minor quinazoline alkaloid from Glycosmis pentaphylla
PubChem CID: 135426527
CAS: 4765-56-4
LOTUS: LTS0206276
COCONUT: CNP0239897
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 236.274
TPSA？: 46.010000000000005
MolLogP？: 2.9262000000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 10600.0 | nM | 10.1016/j.bmcl.2011.05.002 |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 3548.1 | nM | None |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3F | Potency | 3162.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 10000.0 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 8912.5 | nM | None |