None
AlkaPlorer ID: AK323177
Synonym: None
IUPAC Name: 2-(3-hydroxypropyl)-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(CCCO)C3=CC4=C(C=C32)OCO4)=CC(OC)=C1OC
InChI: InChI=1S/C24H25NO8/c1-28-19-7-13(8-20(29-2)23(19)30-3)21-14-9-17-18(33-12-32-17)10-15(14)25(5-4-6-26)16-11-31-24(27)22(16)21/h7-10,21,26H,4-6,11-12H2,1-3H3
InChIKey: ZKKFKGCSGMRPFH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bridelia ferruginea | Bridelia | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.46300000000025
TPSA？: 95.92000000000002
MolLogP？: 2.5863000000000005
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 | MCF7 | GI50 | 0.34 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Homo sapiens | NCI-H460 | GI50 | 0.33 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Mus musculus | P388 | ED50 | 0.28 | ug ml-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.36 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.38 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.48 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.49 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |