None
AlkaPlorer ID: AK324741
Synonym: None
IUPAC Name: 1-[3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyphenyl]pyrrolidin-2-one
Structure
SMILES: CC1=CCC[C@H]2[C@](C)(CC3=CC(N4CCCC4=O)=CC=C3O)[C@@H](C)CC[C@]12C
InChI: InChI=1S/C25H35NO2/c1-17-7-5-8-22-24(17,3)13-12-18(2)25(22,4)16-19-15-20(10-11-21(19)27)26-14-6-9-23(26)28/h7,10-11,15,18,22,27H,5-6,8-9,12-14,16H2,1-4H3/t18-,22+,24+,25+/m0/s1
InChIKey: JPBLJDRVDYJQQV-VCRBZLFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 381.5600000000002
TPSA？: 40.540000000000006
MolLogP？: 5.860300000000007
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
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 |