Natural Product: NPC227553

Natural Product ID:  NPC227553
Common Name:   Salicyluric Acid
IUPAC Name:   2-[(2-hydroxybenzoyl)amino]acetic acid
Synonyms:   NSC-87566; Salicyluric Acid (50-80-%)
Molecular Formula:   C9H9NO4
Standard InCHIKey:  ONJSZLXSECQROL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
Canonical SMILES:  OC(=O)CN=C(c1ccccc1O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

  Biological Activity

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC227553 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC227553 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

This browser does not support HTML5/Canvas.

External Identifiers

PubChem CID   10253
ChEMBL   CHEMBL586
ZINC  

Physicochemical Properties

Molecular Weight:  195.05
ALogP:  -0.9835
MLogP:  1.9
XLogP:  0.954
# Rotatable Bonds:  6
Polar Surface Area:  90.12
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  14

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs