Polyandrocarpamide A; Debromo
AlkaPlorer ID: AK017835
Synonym: Polyandrocarpamide C
IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Structure
SMILES: O=C(NCCC1=CC=C(O)C=C1)C(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C18H16N2O3/c21-13-7-5-12(6-8-13)9-10-19-18(23)17(22)15-11-20-16-4-2-1-3-14(15)16/h1-8,11,20-21H,9-10H2,(H,19,23)
InChIKey: DLDDSBZRJLMUSB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polyandrocarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 308.33700000000005
TPSA？: 82.19
MolLogP？: 2.4151
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | GABA-A receptor; anion channel | Inhibition | 82.0 | % | 10.1021/jm00090a011 |
| Bos taurus | GABA-A receptor; anion channel | Ki | 2400.0 | nM | 10.1021/jm00090a011 |
| Bos taurus | GABA-A receptor; anion channel | Ratio | 0.7 | None | 10.1021/jm00090a011 |