Adhatodine
AlkaPlorer ID: AK069866
Synonym: ''
IUPAC Name: methyl 2-(methylamino)-5-[(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]benzoate
Structure
SMILES: CNC1=CC=C([C@@H]2CCN3CC4=CC=CC=C4N=C23)C=C1C(=O)OC
InChI: InChI=1S/C20H21N3O2/c1-21-18-8-7-13(11-16(18)20(24)25-2)15-9-10-23-12-14-5-3-4-6-17(14)22-19(15)23/h3-8,11,15,21H,9-10,12H2,1-2H3/t15-/m0/s1
InChIKey: UYHHGHQLVKQIQK-HNNXBMFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Justicia adhatoda | Justicia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.4070000000001
TPSA？: 53.93000000000001
MolLogP？: 3.548000000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|