5-epi-Nakijinol D
AlkaPlorer ID: AK123296
Synonym: None
IUPAC Name: 8-[[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-2,6-dimethyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
Structure
SMILES: CC1=CCC[C@H]2[C@](C)(CC3=C4OC(C)=NC4=CC4=C3OC(C)=N4)[C@@H](C)CC[C@@]12C
InChI: InChI=1S/C25H32N2O2/c1-14-8-7-9-21-24(14,5)11-10-15(2)25(21,6)13-18-22-19(26-16(3)28-22)12-20-23(18)29-17(4)27-20/h8,12,15,21H,7,9-11,13H2,1-6H3/t15-,21+,24-,25+/m0/s1
InChIKey: UQMYTHPQNRLUNZ-UCIAGXJNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dactylospongia metachromia | Dactylospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 392.5430000000002
TPSA？: 52.06
MolLogP？: 6.927140000000006
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ALK tyrosine kinase receptor | Inhibition | nan | % | 10.1021/np400633m |
| Homo sapiens | Focal adhesion kinase 1 | Inhibition | nan | % | 10.1021/np400633m |
| Homo sapiens | Insulin-like growth factor I receptor | Inhibition | nan | % | 10.1021/np400633m |
| Mus musculus | L5178Y | IC50 | 10000.0 | nM | 10.1021/np400633m |