None
AlkaPlorer ID: AK324743
Synonym: None
IUPAC Name: N-[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyphenyl]-3-methylbutanamide
Structure
SMILES: CC1=CCC[C@H]2[C@](C)(CC3=CC(NC(=O)CC(C)C)=CC=C3O)[C@@H](C)CC[C@]12C
InChI: InChI=1S/C26H39NO2/c1-17(2)14-24(29)27-21-10-11-22(28)20(15-21)16-26(6)19(4)12-13-25(5)18(3)8-7-9-23(25)26/h8,10-11,15,17,19,23,28H,7,9,12-14,16H2,1-6H3,(H,27,29)/t19-,23+,25+,26+/m0/s1
InChIKey: XZVFNAUYCPLEND-JNXIGMILSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 397.6030000000002
TPSA？: 49.33
MolLogP？: 6.718100000000008
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-375 | Activity | None | None | 10.1021/acs.jnatprod.9b00471 |
| Homo sapiens | Acetyl-CoA carboxylase 1 | Inhibition | None | % | 10.1021/acs.jnatprod.9b00471 |
| Homo sapiens | HEK293 | Activity | None | None | 10.1021/acs.jnatprod.9b00471 |
| Homo sapiens | Protein-tyrosine phosphatase 2C | Inhibition | None | % | 10.1021/acs.jnatprod.9b00471 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | Inhibition | None | % | 10.1021/acs.jnatprod.9b00471 |