Vasicinolone
AlkaPlorer ID: AK094740
Synonym: ''
IUPAC Name: (3S)-3,7-dihydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Structure
SMILES: O=C1C2=CC(O)=CC=C2N=C2[C@@H](O)CCN21
InChI: InChI=1S/C11H10N2O3/c14-6-1-2-8-7(5-6)11(16)13-4-3-9(15)10(13)12-8/h1-2,5,9,14-15H,3-4H2/t9-/m0/s1
InChIKey: MKNHUAILAQZBTQ-VIFPVBQESA-N
Reference
Phytochemical Investigation of Roots of<i>Adhatoda vasica</i>*
PubChem CID: 158720
CAS: 84847-50-7
LOTUS: LTS0196412
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Justicia adhatoda | Justicia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 218.212
TPSA？: 75.35
MolLogP？: 0.5391999999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | None | None | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | PC-3 | IC50 | None | None | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | SGC-7901 | IC50 | None | None | 10.1016/j.bmcl.2017.12.003 |