Citrusinine-I
AlkaPlorer ID: AK019478
Synonym: '', 'Citrusinine I'
IUPAC Name: 1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one
Structure
SMILES: COC1=CC(O)=C2C(=O)C3=CC=CC(O)=C3N(C)C2=C1OC
InChI: InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3
InChIKey: UTEAJHNFBCLZHN-UHFFFAOYSA-N
Reference
Acridone Alkaloids from the Root Bark of Severinia buxifolia in Hainan.
PubChem CID: 5487772
CAS: 86680-32-2
LOTUS: LTS0154282
SuperNatural Ⅲ: SN0379434
COCONUT: CNP0322614
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus limonia | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 301.29800000000006
TPSA？: 80.92
MolLogP？: 2.1201
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Homo sapiens | Cathepsin L2 | IC50 | 2200.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | Cathepsin L2 | Ki | 1000.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | CCRF-HSB-2 | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Homo sapiens | COLO 205 | ED50 | 6.3 | ug ml-1 | 10.1021/np0005309 |
| Homo sapiens | KB | ED50 | 0.09 | ug ml-1 | 10.1021/np0005309 |
| Homo sapiens | TGBC11TKB | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Mus musculus | B16 | IC50 | 40000.0 | nM | 10.1021/np980504z |
| None | NON-PROTEIN TARGET | ED50 | 6.6 | ug ml-1 | 10.1021/np0005309 |