hyrtioerectine B
AlkaPlorer ID: AK057165
Synonym: '', 'Hyrtioerectine B'
IUPAC Name: (1R,3R)-6-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: C[C@H]1N[C@@H](C(=O)O)CC2=C1NC1=CC=C(O)C=C21
InChI: InChI=1S/C13H14N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-4-7(16)2-3-10(8)15-12/h2-4,6,11,14-16H,5H2,1H3,(H,17,18)/t6-,11-/m1/s1
InChIKey: WYQWRMWMBQUYSD-KSBSHMNSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios reticulatus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 246.266
TPSA？: 85.35000000000001
MolLogP？: 1.5334
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
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 | HeLa | IC50 | 5.0 | ug.mL-1 | 10.1021/np050142c |
| Homo sapiens | HeLa | IC50 | 20.0 | nM | 10.1016/j.ejmech.2021.113491 |
| Homo sapiens | Ubiquitin-like modifier-activating enzyme 1 | Inhibition | nan | % | 10.1016/j.bmc.2012.05.044 |