Ircinialactam C
AlkaPlorer ID: AK068797
Synonym: None
IUPAC Name: (3S,7E,11E)-14-[1-(carboxymethyl)-5-oxo-2H-pyrrol-4-yl]-3,7,11-trimethyltetradeca-7,11-dienoic acid
Structure
SMILES: C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@H](C)CC(=O)O
InChI: InChI=1S/C23H35NO5/c1-17(9-5-11-19(3)15-21(25)26)7-4-8-18(2)10-6-12-20-13-14-24(23(20)29)16-22(27)28/h7,10,13,19H,4-6,8-9,11-12,14-16H2,1-3H3,(H,25,26)(H,27,28)/b17-7+,18-10+/t19-/m0/s1
InChIKey: FYWCTUYAFXXJQJ-SNSLKRADSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Irciniidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.53500000000025
TPSA？: 94.91
MolLogP？: 4.573700000000004
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glycine receptor subunit alpha-1 | EC50 | nan | None | 10.1016/j.bmc.2010.03.002 |
| Homo sapiens | Glycine receptor subunit alpha-1 | IC50 | nan | None | 10.1016/j.bmc.2010.03.002 |
| Homo sapiens | Glycine receptor subunit alpha-3 | EC50 | nan | None | 10.1016/j.bmc.2010.03.002 |
| Homo sapiens | Glycine receptor subunit alpha-3 | IC50 | 30000.0 | nM | 10.1016/j.bmc.2010.03.002 |