None
AlkaPlorer ID: AK323176
Synonym: None
IUPAC Name: 2-(2-hydroxyethyl)-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
Structure
SMILES: COC1=CC(C2C3=C(COC3=O)N(CCO)C3=CC4=C(C=C32)OCO4)=CC(OC)=C1OC
InChI: InChI=1S/C23H23NO8/c1-27-18-6-12(7-19(28-2)22(18)29-3)20-13-8-16-17(32-11-31-16)9-14(13)24(4-5-25)15-10-30-23(26)21(15)20/h6-9,20,25H,4-5,10-11H2,1-3H3
InChIKey: LRYQORFWXVCXMN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bridelia ferruginea | Bridelia | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.43600000000026
TPSA？: 95.92000000000002
MolLogP？: 2.1962
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Interferon-induced guanylate-binding protein 1/Serine/threonine-protein kinase pim-1 | Inhibition | nan | % | 10.1021/jm5009902 |
| Homo sapiens | MCF7 | GI50 | 0.37 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Homo sapiens | NCI-H460 | GI50 | 0.58 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Mus musculus | P388 | ED50 | 2.0 | ug ml-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.41 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.52 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.6 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 1.3 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |