Anisotine
AlkaPlorer ID: AK041819
Synonym: '', 'Anisotine'
IUPAC Name: methyl 2-(methylamino)-5-[(3S)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl]benzoate
Structure
SMILES: CNC1=CC=C([C@@H]2CCN3C2=NC2=CC=CC=C2C3=O)C=C1C(=O)OC
InChI: InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3/t13-/m0/s1
InChIKey: FZKRWTVMKFSFSG-ZDUSSCGKSA-N
Reference
Neue alkaloide aus <i>Adhatoda vasica Nees</i>
PubChem CID: 92143160
LOTUS: LTS0122016
SuperNatural Ⅲ: SN0099646-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Justicia adhatoda | Justicia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.39000000000016
TPSA？: 73.22
MolLogP？: 2.760400000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|