2,3-Dihydro-4,6-dihydroxy-1H-isoindol-1-one; N-(2-Hydroxyethyl)
AlkaPlorer ID: AK141386
Synonym: 2,3-Dihydro-4,6-dihydroxy-2-(2-hydroxyethyl)-1H-isoindol-1-one, Meyeroguilline D
IUPAC Name: 4,6-dihydroxy-2-(2-hydroxyethyl)-3H-isoindol-1-one
Structure
SMILES: O=C1C2=CC(O)=CC(O)=C2CN1CCO
InChI: InChI=1S/C10H11NO4/c12-2-1-11-5-8-7(10(11)15)3-6(13)4-9(8)14/h3-4,12-14H,1-2,5H2
InChIKey: BWNNSNNNURILRN-UHFFFAOYSA-N
Reference
Alkaloids from the mangrove endophytic fungus Diaporthe phaseolorum SKS019
PubChem CID: 137660688
COCONUT: CNP0440236
{NPAtlas: NPA030359
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diaporthe phaseolorum | Diaporthe | Diaporthaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 209.201
TPSA？: 81.0
MolLogP？: 0.0459
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 |