3-{4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl}-1-{9H-pyrido[3,4-b]indol-1-yl}propan-1-one
AlkaPlorer ID: AK023838
Synonym: None
IUPAC Name: 3-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)propan-1-one
Structure
SMILES: COC1=CC=CC2=C1NC1=C(CCC(=O)C3=NC=CC4=C3NC3=CC=CC=C34)N=CC(OC)=C12
InChI: InChI=1S/C27H22N4O3/c1-33-21-9-5-7-17-23-22(34-2)14-29-19(26(23)31-24(17)21)10-11-20(32)27-25-16(12-13-28-27)15-6-3-4-8-18(15)30-25/h3-9,12-14,30-31H,10-11H2,1-2H3
InChIKey: MSRXRROCBIUJCG-UHFFFAOYSA-N
Reference
Studies on the constituents of Picrasma quassioides Bennet. I. On the alkaloidal constituents.
PubChem CID: 5315686
CAS: 82652-20-8
LOTUS: LTS0160458
COCONUT: CNP0333141
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picrasma quassioides | Picrasma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 450.49800000000016
TPSA？: 92.89
MolLogP？: 5.578300000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Tobacco mosaic virus | Tobacco mosaic virus | EC50 | 78000.0 | nM | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | EC50 | 131000.0 | nM | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 28.9 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 39.4 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 45.5 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 52.4 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 64.8 | % | 10.1021/jf901632j |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 68.3 | % | 10.1021/jf901632j |