Vasicinone
AlkaPlorer ID: AK008924
Synonym: '', 'Vasicinone; (S)-form', 'Vasicinone', 'MLSMR', 'MLS001048974', 'SMR000386992'
IUPAC Name: (3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Structure
SMILES: O=C1C2=CC=CC=C2N=C2[C@@H](O)CCN21
InChI: InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
InChIKey: SDIVYZXRQHWCKF-VIFPVBQESA-N
Reference
Polybuffer separation of the combined alkaloids of Peganum harmala
PubChem CID: 442935
CAS: 486-64-6
LOTUS: LTS0157663
SuperNatural Ⅲ: SN0342418-02
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Justicia adhatoda | Justicia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 202.213
TPSA？: 55.12
MolLogP？: 0.8335999999999999
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 67770.0 | nM | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | PC-3 | IC50 | nan | None | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | SGC-7901 | IC50 | nan | None | 10.1016/j.bmcl.2017.12.003 |
| None | NON-PROTEIN TARGET | ED50 | 2.864 | mmol/L | 10.1016/j.ejmech.2013.12.024 |