Molecule

Aerugine

AlkaPlorer ID: AK025841

Synonym: None

IUPAC Name: 2-[(4R)-4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol

SMILES: OC[C@@H]1CSC(C2=CC=CC=C2O)=N1

InChI: InChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2/t7-/m1/s1

InChIKey: CQCVSXXDUMTFCR-SSDOTTSWSA-N

PubChem CID: 136030596

LOTUS: LTS0086971

SuperNatural Ⅲ: SN0052588-01

NPASS: NPC112823

{

NPAtlas: NPA018498

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp. CP32	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Pseudomonas fluorescens	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 209.27

TPSA？: 52.82

MolLogP？: 1.2465

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

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	1360.0	nM	10.1021/np100588c
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	1400.0	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
Mus musculus	Serotonin 2b (5-HT2b) receptor	Activity	nan	None	10.1021/np100588c