CFam Chemical Families Database
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You are searching for "CFAMM00555447" in compound.

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CFAM Mol ID CFAMM00555447
Family CFFNP905 NP (e)-4-methoxy-6,6-dimethyl-5-(2-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Iodide Family
Superfamily CFSNP220 1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)ethanone NP 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)ethanone and 5-[3-[(3-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)oxy]prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline NP ZINC20113915 Superfamily
Class CFCAD621 Class 621
External ID ZINC02110327 External Source ZINC
PubChem CID 1765249 Functional Category Natural Product
Molecule Name 5-(2-cyclododecyl-2-oxoethyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
IUPAC Name 1-cyclododecyl-2-[(5R)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone
Synonyms ZINC02110327;1-cyclododecyl-2-[(5R)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone
InChi InChI=1S/C27H42NO4/c1-28(2)16-15-21-17-24-26(32-19-31-24)27(30-3)25(21)22(28)18-23(29)20-13-11-9-7-5-4-6-8-10-12-14-20/h17,20,22H,4-16,18-19H2,1-3H3/q+1/t22-/m1/s1
InChiKey WHXJSMKZMOACSR-JOCHJYFZSA-N
Formula C27H42NO4+ Molecular Weight 444.63
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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