Hyrtioreticulin B
AlkaPlorer ID: AK068776
Synonym: None
IUPAC Name: (1S,3S)-6-hydroxy-1-(1H-imidazol-5-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: O=C(O)[C@@H]1CC2=C(NC3=CC=C(O)C=C23)[C@H](CC2=CN=CN2)N1
InChI: InChI=1S/C16H16N4O3/c21-9-1-2-12-10(4-9)11-5-14(16(22)23)19-13(15(11)20-12)3-8-6-17-7-18-8/h1-2,4,6-7,13-14,19-21H,3,5H2,(H,17,18)(H,22,23)/t13-,14-/m0/s1
InChIKey: VXURZHPEJYLPGK-KBPBESRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios reticulatus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 312.329
TPSA？: 114.03
MolLogP？: 1.4792999999999998
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | nan | None | 10.1016/j.bmc.2012.05.044 |
| Homo sapiens | Ubiquitin-like modifier-activating enzyme 1 | IC50 | 35000.0 | nM | 10.1016/j.bmc.2012.05.044 |
| Homo sapiens | Ubiquitin-like modifier-activating enzyme 1 | Inhibition | nan | % | 10.1016/j.bmc.2012.05.044 |