Ircinialactam A
AlkaPlorer ID: AK100279
Synonym: None
IUPAC Name: 2-[4-[(3E,7E,12S,13Z)-13-(3-hydroxy-4-methyl-5-oxofuran-2-ylidene)-4,8,12-trimethyltrideca-3,7-dienyl]-5-oxo-2H-pyrrol-1-yl]acetic acid
Structure
SMILES: CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC2=CCN(CC(=O)O)C2=O)OC1=O
InChI: InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30/h8,11,14,16,20,31H,5-7,9-10,12-13,15,17H2,1-4H3,(H,29,30)/b18-8+,19-11+,23-16-/t20-/m0/s1
InChIKey: BIQICBSXLAWWPY-CHVWLSOJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Irciniidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 471.5940000000003
TPSA？: 104.14
MolLogP？: 5.371700000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glycine receptor subunit alpha-1 | Activity | 140.0 | % | 10.1016/j.bmc.2010.03.002 |
| Homo sapiens | Glycine receptor subunit alpha-1 | Activity | 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 |