CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00539343" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00539343
Family CFFHM1132 Acetals Metabolite Acetal R Family
Superfamily CFSHM657 Acetals Metabolite Acetal R and Oxolanes Metabolite Rhubafuran Superfamily
Class CFCBM1908 Class 4958
External ID 57176920 External Source PubChem
PubChem CID 57176920 Functional Category Patent Compound
Molecule Name AGN-PC-0BOWOG
IUPAC Name 2-(1-phenylpropan-2-yl)-1,4-dioxane
Synonyms 2-(1-phenylpropan-2-yl)-1,4-dioxane
InChi InChI=1S/C13H18O2/c1-11(13-10-14-7-8-15-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChiKey BUXDUARVMLNMIR-UHFFFAOYSA-N
Formula C13H18O2 Molecular Weight 206.28
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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