CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00540498" 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.

Search Results

CFAM Mol ID CFAMM00540498
Family CFFHM1322 Carboxylic Acids and Derivatives Metabolite 3-Acetoxy-3-methyl-1-phenylbutane Family
Superfamily CFSHM745 Carboxylic Acids and Derivatives Metabolite 3-Acetoxy-3-methyl-1-phenylbutane Superfamily
Class CFCAD152 Class 152
External ID HMDB34556 External Source HMDB
PubChem CID 7633 Functional Category Human Metabolite
Molecule Name 3-Acetoxy-3-methyl-1-phenylbutane
IUPAC Name 2-methyl-4-phenylbutan-2-yl acetate
Synonyms 1,1-Dimethyl-3-phenylpropan-1-yl acetate;1,1-Dimethyl-3-phenylpropyl acetate;2-Butanol, 2-methyl-4-phenyl-, acetate;2-Methyl-4-phenyl-2-butanyl acetate;2-Methyl-4-phenyl-2-butyl acetate;3-Acetoxy-3-methyl-1-phenylbutane;Acetic acid, (1,1-dimethyl-3-phenylpropyl) ester;alpha,alpha-Dimethylbenzenepropanol acetate;alpha,alpha-Dimethylbenzenepropyl acetate;Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate;Benzenepropanol, alpha,alpha-dimethyl-, acetate;Centifolia;Dimethyl phenethyl carbinyl acetate;Dimethylphenethylcarbinyl acetate;Dimethylphenylethylcarbinyl acetate;Dmpec acetate;FEMA 2735;Phenyl-tert-amyl acetate;Phenylethyl dimethyl carbinyl acetate
InChi InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChiKey ZXFNOEJFYLQUSB-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
 

 

48708 visits since 2014 .........

 



Dr. Chen Yuzong

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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00540498'),None, txtsearch, CFAMM00540498|