CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00539325" in compound.

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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 CFAMM00539325
Family CFFHM1132 Acetals Metabolite Acetal R Family
Superfamily CFSHM657 Acetals Metabolite Acetal R and Oxolanes Metabolite Rhubafuran Superfamily
Class CFCBM1908 Class 4958
External ID 57244765 External Source PubChem
PubChem CID 57244765 Functional Category Patent Compound
Molecule Name AGN-PC-0BQ87J
IUPAC Name 1-[2-methyl-1-[2-methyl-2-[4-(2-methylprop-1-enyl)phenyl]butoxy]butan-2-yl]-4-(2-methylprop-1-enyl)benzene
Synonyms 1-[2-methyl-1-[2-methyl-2-[4-(2-methylprop-1-enyl)phenyl]butoxy]butan-2-yl]-4-(2-methylprop-1-enyl)benzene
InChi InChI=1S/C30H42O/c1-9-29(7,27-15-11-25(12-16-27)19-23(3)4)21-31-22-30(8,10-2)28-17-13-26(14-18-28)20-24(5)6/h11-20H,9-10,21-22H2,1-8H3
InChiKey XWOBELXDMSHIRQ-UHFFFAOYSA-N
Formula C30H42O Molecular Weight 418.65
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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