Iso-oxeatamide A
AlkaPlorer ID: AK123502
Synonym: None
IUPAC Name: (2R)-2-[2-(carboxymethyl)-3-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-isoindol-4-yl]propanoic acid
Structure
SMILES: C[C@@H](C(=O)O)C1=C([C@@]2(C)CCCC(C)(C)C2)C=CC2=C1C(=O)N(CC(=O)O)C2
InChI: InChI=1S/C22H29NO5/c1-13(20(27)28)17-15(22(4)9-5-8-21(2,3)12-22)7-6-14-10-23(11-16(24)25)19(26)18(14)17/h6-7,13H,5,8-12H2,1-4H3,(H,24,25)(H,27,28)/t13-,22+/m1/s1
InChIKey: NFKCEWLLJVBQDL-DMZKTXOQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Darwinella oxeata | Darwinella | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 387.47600000000017
TPSA？: 94.91
MolLogP？: 3.7730000000000015
Number of H-Donors: 2
Number of H-Acceptors: 3
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 |