2,3-Dihydro-4,6-dihydroxy-1H-isoindol-1-one; N-(4-Carboxybutyl)
AlkaPlorer ID: AK128288
Synonym: Meyeroguilline A
IUPAC Name: 5-(5,7-dihydroxy-3-oxo-1H-isoindol-2-yl)pentanoic acid
Structure
SMILES: O=C(O)CCCCN1CC2=C(O)C=C(O)C=C2C1=O
InChI: InChI=1S/C13H15NO5/c15-8-5-9-10(11(16)6-8)7-14(13(9)19)4-2-1-3-12(17)18/h5-6,15-16H,1-4,7H2,(H,17,18)
InChIKey: HMZRYPLRIDLTNP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diaporthe phaseolorum | Diaporthe | Diaporthaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Meyerozyma guilliermondii | Meyerozyma | Debaryomycetaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 265.26500000000004
TPSA？: 98.07
MolLogP？: 1.3085
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | GI | nan | None | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | HCT-116 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | HepG2 | GI | nan | None | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | HepG2 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | MCF-10A | GI | nan | None | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | MCF-10A | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | MDA-MB-435 | GI | nan | None | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | MDA-MB-435 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | NCI-H460 | GI | nan | None | 10.1016/j.bmcl.2017.01.029 |
| Homo sapiens | NCI-H460 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2017.01.029 |