2,3-Dihydro-4,6-dihydroxy-1H-isoindol-1-one; N-[4-(Methoxycarbonyl)butyl]
AlkaPlorer ID: AK141381
Synonym: Meyeroguilline C
IUPAC Name: methyl 5-(5,7-dihydroxy-3-oxo-1H-isoindol-2-yl)pentanoate
Structure
SMILES: COC(=O)CCCCN1CC2=C(O)C=C(O)C=C2C1=O
InChI: InChI=1S/C14H17NO5/c1-20-13(18)4-2-3-5-15-8-11-10(14(15)19)6-9(16)7-12(11)17/h6-7,16-17H,2-5,8H2,1H3
InChIKey: IVVBSFVDBKZHEA-UHFFFAOYSA-N
Reference
Alkaloids from the mangrove endophytic fungus Diaporthe phaseolorum SKS019
PubChem CID: 137644448
COCONUT: CNP0430111
{NPAtlas: NPA030358
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diaporthe phaseolorum | Diaporthe | Diaporthaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 279.29200000000003
TPSA？: 87.07
MolLogP？: 1.3968999999999998
Number of H-Donors: 2
Number of H-Acceptors: 5
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 |