Structure

InChI Key LNBCGLZYLJMGKP-JZGIKJSDSA-N
Smiles NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C8H11NO3.C4H6O6.H2O/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10;/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10);1H2/t8-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19NO10
Molecular Weight 337.28
AlogP 0.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 86.71
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Bioactivity

Mechanism of Action Action Reference
Adrenergic receptor agonist AGONIST DailyMed
Assay Description Organism Bioactivity Reference
PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A). (Class of assay: confirmatory) Mus musculus 806.15 nM

Cross References

Resources Reference
ChEBI 33569
ChEMBL CHEMBL1434513
FDA SRS IFY5PE3ZRW
Guide to Pharmacology 505
KEGG C00547
PDB LT4
PubChem 3047796
ZINC ZINC00057624