Oxeatamide A 23-methyl ester
AlkaPlorer ID: AK123531
Synonym: None
IUPAC Name: (2R)-2-[2-(2-methoxy-2-oxoethyl)-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
Structure
SMILES: COC(=O)CN1CC2=C(C=CC([C@@]3(C)CCCC(C)(C)C3)=C2[C@@H](C)C(=O)O)C1=O
InChI: InChI=1S/C23H31NO5/c1-14(21(27)28)19-16-11-24(12-18(25)29-5)20(26)15(16)7-8-17(19)23(4)10-6-9-22(2,3)13-23/h7-8,14H,6,9-13H2,1-5H3,(H,27,28)/t14-,23+/m1/s1
InChIKey: BLMWJDYVYQGMIM-FATZIPQQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Darwinella oxeata | Darwinella | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.5030000000002
TPSA？: 83.91
MolLogP？: 3.8614000000000015
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/np500549g |