Molecule

Oxeatamide C

AlkaPlorer ID: AK123513

Synonym: None

IUPAC Name: (2R)-2-[2-(2-aminoethyl)-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid

Structure

SMILES: C[C@@H](C(=O)O)C1=C2CN(CCN)C(=O)C2=CC=C1[C@@]1(C)CCCC(C)(C)C1

InChI: InChI=1S/C22H32N2O3/c1-14(20(26)27)18-16-12-24(11-10-23)19(25)15(16)6-7-17(18)22(4)9-5-8-21(2,3)13-22/h6-7,14H,5,8-13,23H2,1-4H3,(H,26,27)/t14-,22+/m1/s1

InChIKey: WWHFEXUPYPPAKQ-PEBXRYMYSA-N

Reference

Genoketides A1 and A2, New Octaketides and Biosynthetic Intermediates of Chrysophanol Produced by Streptomyces sp. AK 671

PubChem CID: 101888835

NPASS: NPC489066

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Darwinella oxeata	Darwinella	Darwinellidae	Dendroceratida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 372.5090000000002

TPSA？: 83.63

MolLogP？: 3.647100000000002

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