Arborine
AlkaPlorer ID: AK013635
Synonym: None
IUPAC Name: 2-benzyl-1-methylquinazolin-4-one
Structure
SMILES: CN1C(CC2=CC=CC=C2)=NC(=O)C2=CC=CC=C21
InChI: InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey: XVPZRKIQCKKYNE-UHFFFAOYSA-N
Reference
PubChem CID: 63123
CAS: 6873-15-0
LOTUS: LTS0015962
SuperNatural Ⅲ: SN0441304
COCONUT: CNP0248104
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycosmis pentaphylla | Glycosmis | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 250.301
TPSA？: 34.89
MolLogP？: 2.5243
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Raji | Activity | 60.0 | % | 10.1021/np0400611 |
| Homo sapiens | Raji | Activity | 80.0 | % | 10.1021/np0400611 |
| None | Unchecked | Activity | 12.7 | % | 10.1021/np0400611 |
| None | Unchecked | Activity | 40.4 | % | 10.1021/np0400611 |
| None | Unchecked | Activity | 75.6 | % | 10.1021/np0400611 |
| None | Unchecked | Activity | 100.0 | % | 10.1021/np0400611 |