Natural Product: NPC281883

Natural Product ID:  NPC281883
Common Name:   Triacetin
IUPAC Name:   2,3-diacetyloxypropyl acetate
Synonyms:   E1518; EASTMAN Triacetin; Enzactin; Glyceryl Triacetate; Triacetin
Molecular Formula:   C9H14O6
Standard InCHIKey:  URAYPUMNDPQOKB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
Canonical SMILES:  CC(=O)OC(COC(=O)C)COC(=O)C
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 NPC281883 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 NPC281883 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   5541
ChEMBL   CHEMBL1489254
ZINC  

Physicochemical Properties

Molecular Weight:  218.08
ALogP:  -0.2708
MLogP:  1.79
XLogP:  0.34
# Rotatable Bonds:  11
Polar Surface Area:  78.9
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  15

Download Data

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