dysiherbaine
AlkaPlorer ID: AK003008
Synonym: '', 'Dysiherbaine', '(2R,3aR,6S,7R,7aR)-2-(2S)-2-amino-2-carboxyethyl-6-hydroxy-7-(methylamino)-hexahydro-2H-furo3,2-bpyran-2-carboxylic acid', '185245-55-0'
IUPAC Name: (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylic acid
Structure
SMILES: CN[C@H]1[C@H]2O[C@@](C[C@H](N)C(=O)O)(C(=O)O)C[C@H]2OC[C@H]1O
InChI: InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
InChIKey: YUSZFKPLFIQTGF-FDNSHYBFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellodysidea herbacea | Lamellodysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 304.29900000000004
TPSA？: 151.34
MolLogP？: -2.2515999999999967
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glutamate receptor ionotropic kainate 1 | Ki | 0.74 | nM | 10.1016/j.bmcl.2016.09.074 |
| Homo sapiens | Glutamate receptor ionotropic kainate 2 | Ki | 1.2 | nM | 10.1016/j.bmcl.2016.09.074 |
| Mus musculus | Mus musculus | ED50 | 13.0 | pmol | 10.1016/j.bmcl.2006.08.082 |
| None | Unchecked | Ki | 26.0 | nM | 10.1016/j.bmcl.2006.08.082 |
| None | Unchecked | Ki | 153.0 | nM | 10.1016/j.bmcl.2006.08.082 |