4,9-Dimethoxycanthin-6-one
AlkaPlorer ID: AK000991
Synonym: None
IUPAC Name: 4,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Structure
SMILES: COC1=CC2=C(C=C1)C3=C4N2C(=O)C=C(C4=NC=C3)OC
InChI: InChI=1S/C16H12N2O3/c1-20-9-3-4-10-11-5-6-17-15-13(21-2)8-14(19)18(16(11)15)12(10)7-9/h3-8H,1-2H3
InChIKey: WBMNWMYQWQQWHM-UHFFFAOYSA-N
Reference
Anti-inflammatory canthin-6-one alkaloids from the roots of Thailand Eurycoma longifolia Jack
PubChem CID: 102004796
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eurycoma longifolia | Eurycoma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 280.283
TPSA？: 52.83
MolLogP？: 2.4558999999999997
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-1080 | IC50 | 5000.0 | nM | 10.1016/j.ejmech.2021.113688 |