None
AlkaPlorer ID: AK323181
Synonym: None
IUPAC Name: 8-(1,3-benzodioxol-4-yl)-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: O=C1OCC2=C1C(C1=C3OCOC3=CC=C1)C1=CC3=C(C=C1N2)OCO3
InChI: InChI=1S/C19H13NO6/c21-19-17-12(6-22-19)20-11-5-15-14(24-7-25-15)4-10(11)16(17)9-2-1-3-13-18(9)26-8-23-13/h1-5,16,20H,6-8H2
InChIKey: QPQGJTILLOSEOH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bridelia ferruginea | Bridelia | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.3140000000001
TPSA？: 75.25000000000001
MolLogP？: 2.5123
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | GI50 | 0.0039 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Homo sapiens | NCI-H460 | GI50 | 0.021 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Mus musculus | P388 | ED50 | 0.17 | ug ml-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.0089 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.041 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.065 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | nan | None | 10.1021/acs.jnatprod.5b00873 |