None
AlkaPlorer ID: AK324742
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]acetamide
Structure
SMILES: CC1=CCC[C@H]2[C@](C)(CC3=CC(N=C(C)O)=CC=C3O)[C@@H](C)CC[C@]12C
InChI: InChI=1S/C23H33NO2/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(24-17(3)25)9-10-20(18)26/h7,9-10,13,16,21,26H,6,8,11-12,14H2,1-5H3,(H,24,25)/t16-,21+,22+,23+/m0/s1
InChIKey: RNXMKZXPKPSYTO-RAKGIWIYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 355.52200000000016
TPSA？: 52.82000000000001
MolLogP？: 6.341400000000006
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 |