Ircinialactam D
AlkaPlorer ID: AK100304
Synonym: None
IUPAC Name: (5S,9E,13E)-16-[1-(carboxymethyl)-5-oxo-2H-pyrrol-4-yl]-3-ethoxycarbonyl-2,3-dihydroxy-2,5,9,13-tetramethylhexadeca-9,13-dienoic acid
Structure
SMILES: CCOC(=O)C(O)(C[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CCN(CC(=O)O)C1=O)C(C)(O)C(=O)O
InChI: InChI=1S/C29H45NO9/c1-6-39-27(36)29(38,28(5,37)26(34)35)18-22(4)14-8-12-20(2)10-7-11-21(3)13-9-15-23-16-17-30(25(23)33)19-24(31)32/h10,13,16,22,37-38H,6-9,11-12,14-15,17-19H2,1-5H3,(H,31,32)(H,34,35)/b20-10+,21-13+/t22-,28?,29?/m0/s1
InChIKey: SQGYKNDGZPDTBW-YUFZARIUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Irciniidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 551.6770000000004
TPSA？: 161.67000000000002
MolLogP？: 3.618900000000001
Number of H-Donors: 4
Number of H-Acceptors: 7
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 |