None
AlkaPlorer ID: AK323182
Synonym: None
IUPAC Name: 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)NC3=CC4=C(C=C32)OCO4)=CC(OC)=C1OC
InChI: InChI=1S/C21H19NO7/c1-24-16-4-10(5-17(25-2)20(16)26-3)18-11-6-14-15(29-9-28-14)7-12(11)22-13-8-27-21(23)19(13)18/h4-7,18,22H,8-9H2,1-3H3
InChIKey: SNGJBEACTWOCGA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bridelia ferruginea | Bridelia | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.3830000000002
TPSA？: 84.48000000000002
MolLogP？: 2.809400000000001
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | GI50 | nan | None | 10.1021/acs.jnatprod.5b00873 |
| Homo sapiens | NCI-H460 | GI50 | nan | None | 10.1021/acs.jnatprod.5b00873 |
| Mus musculus | P388 | ED50 | 0.0018 | ug ml-1 | 10.1021/acs.jnatprod.5b00873 |
| Mus musculus | P388 | IC50 | 4530.0 | nM | 10.1016/j.bmc.2022.116815 |
| None | NON-PROTEIN TARGET | GI50 | nan | None | 10.1021/acs.jnatprod.5b00873 |