Hyrtioerectine C
AlkaPlorer ID: AK034621
Synonym: None
IUPAC Name: (2R)-2-hydroxy-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Structure
SMILES: O=C(O)[C@H](O)CC1=CNC2=CC=C(O)C=C12
InChI: InChI=1S/C11H11NO4/c13-7-1-2-9-8(4-7)6(5-12-9)3-10(14)11(15)16/h1-2,4-5,10,12-14H,3H2,(H,15,16)/t10-/m1/s1
InChIKey: UFDRBNQJYZJRJV-SNVBAGLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios erectus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 221.212
TPSA？: 93.55
MolLogP？: 0.8615000000000002
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 4.5 | ug.mL-1 | 10.1021/np050142c |
| Homo sapiens | HeLa | IC50 | 20.0 | nM | 10.1016/j.ejmech.2021.113491 |