CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00533477" 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 CFAMM00533477
Family CFFHM297 Prenol Lipids Metabolite Alpha-Pinene-oxide Family
Superfamily CFSHM192 Prenol Lipids Metabolite Alpha-Pinene-oxide Superfamily
Class CFCHM126 Class 7211
External ID ZINC12243725 External Source ZINC
PubChem CID 87749 Functional Category Natural Product
Molecule Name (1S,2S,5R)-(+)-2,10-Epoxypinane
IUPAC Name (1R,4S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-4,2'-oxirane]
Synonyms AC1Q70SM;KST-1A2354;EINECS 242-498-4;AR-1A1552;ZINC12243725;Pinane, 2,10-epoxy-, (1S,2S,5R)-(+)-;(1S-(1alpha,2beta,5alpha))-6,6-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)
InChi InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10-/m1/s1
InChiKey OUXAABAEPHHZPC-KHQFGBGNSA-N
Formula C10H16O Molecular Weight 152.23
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
 

 

27515 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', 'CFAMM00533477'),None, txtsearch, CFAMM00533477|