ethyl (2S)-4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
AlkaPlorer ID: AK443082
Synonym: None
IUPAC Name: ethyl 4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
Structure
SMILES: CCOC(=O)C1CN(CC2=CC=CC=C2)C2=CC=CC=C2O1
InChI: InChI=1S/C18H19NO3/c1-2-21-18(20)17-13-19(12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)22-17/h3-11,17H,2,12-13H2,1H3
InChIKey: LFSYUHOUKZYIHP-UHFFFAOYSA-N
Reference
Two New Natural Azafluorene Alkaloids and a Cytotoxic Aporphine Alkaloid from Polyalthia longifolia
PubChem CID: 10542027
COCONUT: CNP0122030.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 297.35400000000004
TPSA？: 38.77
MolLogP？: 3.017300000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NAD-dependent deacetylase sirtuin 1 | IC50 | 60000.0 | nM | 10.1021/acs.jmedchem.1c00017 |
| Homo sapiens | NAD-dependent deacetylase sirtuin 2 | IC50 | 60000.0 | nM | 10.1021/acs.jmedchem.1c00017 |
| Homo sapiens | NAD-dependent deacetylase sirtuin 3 | IC50 | 60000.0 | nM | 10.1021/acs.jmedchem.1c00017 |