Natural Product: NPC194034

Natural Product ID:  NPC194034
Common Name:   Mephenesin
IUPAC Name:   3-(2-methylphenoxy)propane-1,2-diol
Synonyms:   Cresoxydiol; Decontractyl; Mephenesin; Tolserol
Molecular Formula:   C10H14O3
Standard InCHIKey:  JWDYCNIAQWPBHD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
Canonical SMILES:  OCC(COc1ccccc1C)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 NPC194034 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 NPC194034 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   4059
ChEMBL   CHEMBL229128
ZINC  

Physicochemical Properties

Molecular Weight:  182.09
ALogP:  -0.4599
MLogP:  2.23
XLogP:  1.294
# Rotatable Bonds:  7
Polar Surface Area:  49.69
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  13

Download Data

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