Oxeatamide E
AlkaPlorer ID: AK123519
Synonym: None
IUPAC Name: (2R)-2-[1-oxo-2-(2-phenylethyl)-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
Structure
SMILES: C[C@@H](C(=O)O)C1=C2CN(CCC3=CC=CC=C3)C(=O)C2=CC=C1[C@@]1(C)CCCC(C)(C)C1
InChI: InChI=1S/C28H35NO3/c1-19(26(31)32)24-22-17-29(16-13-20-9-6-5-7-10-20)25(30)21(22)11-12-23(24)28(4)15-8-14-27(2,3)18-28/h5-7,9-12,19H,8,13-18H2,1-4H3,(H,31,32)/t19-,28+/m1/s1
InChIKey: NIGAJTOGFXIKBR-GDJIYFAZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Darwinella oxeata | Darwinella | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 433.5920000000004
TPSA？: 57.61
MolLogP？: 5.931100000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/np500549g |