Macrophilone C
AlkaPlorer ID: AK149846
Synonym: None
IUPAC Name: 9-amino-8-(hydroxymethyl)-2,3-dihydropyrrolo[2,3-g][1,4]benzothiazin-5-ol
Structure
SMILES: N=C1C2=C(NCCS2)C(=O)C2=C1C(CO)=CN2
InChI: InChI=1S/C11H11N3O2S/c12-7-6-5(4-15)3-14-8(6)10(16)9-11(7)17-2-1-13-9/h3,12-15H,1-2,4H2
InChIKey: OBDLRFWZOITVME-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Macrorhynchia philippina | Macrorhynchia | Aglaopheniidae | Leptothecata | Hydrozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 249.295
TPSA？: 88.97
MolLogP？: 0.61917
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | COLO 205 | Activity | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | COLO 205 | GI | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | Inhibition | None | % | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | Activity | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Malme-3M | GI | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | MDA-MB-435 | GI | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | Activity | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | Inhibition | None | % | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Serine/threonine-protein kinase RAF | Inhibition | None | % | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | SK-MEL-5 | GI | None | None | 10.1021/acs.jnatprod.8b00343 |
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.8b00343 |