Aeruginaldehyde
AlkaPlorer ID: AK021632
Synonym: 'Aeruginaldehyde'
IUPAC Name: 2-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
Structure
SMILES: O=CC1=CSC(C2=CC=CC=C2O)=N1
InChI: InChI=1S/C10H7NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-6,13H
InChIKey: KQXPEMHRIDDMQC-UHFFFAOYSA-N
Reference
PubChem CID: 136259032
CAS: 83053-39-8
LOTUS: LTS0205538
SuperNatural Ⅲ: SN0193002
COCONUT: CNP0149938
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas fluorescens | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 205.238
TPSA？: 50.19
MolLogP？: 2.3282000000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Serotonin 1b (5-HT1b) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 1d (5-HT1d) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 1e (5-HT1e) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 2b (5-HT2b) receptor | Ki | 1500.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 3a (5-HT3a) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 5a (5-HT5a) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 6 (5-HT6) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |
| Homo sapiens | Serotonin 7 (5-HT7) receptor | Ki | 10000.0 | nM | 10.1021/acs.jnatprod.7b00317 |