Anisessine
AlkaPlorer ID: AK288027
Synonym: Methyl 2-[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate, Methyl N-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)anthranilate
IUPAC Name: ethyl 2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)amino]benzoate
Structure
SMILES: CCOC(=O)C1=CC=CC=C1NC1CCN2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C20H19N3O3/c1-2-26-20(25)14-8-4-6-10-16(14)21-17-11-12-23-18(17)22-15-9-5-3-7-13(15)19(23)24/h3-10,17,21H,2,11-12H2,1H3
InChIKey: XESDUHSYWZBXPQ-UHFFFAOYSA-N
Reference
The alkaloids of anisotes sessiliflorus C.B.Cl. (acanthaceae)—five new 4-quinazolone alkaloids
PubChem CID: 442883
CAS: 16688-20-3
LOTUS: LTS0162410
COCONUT: CNP0276121.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Anisotes | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.3900000000001
TPSA？: 73.22
MolLogP？: 3.130100000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|