CFam Chemical Families Database
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You are searching for "CFAMM00115819" 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 CFAMM00115819
Family CFFAD982 Hidrosmin family
Superfamily CFSAD705 D-alanyl-D-alanine carboxypeptidase inhibitor B-Lactams Superfamily
Class CFCAD637 Class 637
External ID CHEMBL359962 External Source CHEMBL
PubChem CID 44394360 Functional Category Bioactive
Molecule Name 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-ethyl-2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
IUPAC Name 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-ethyl-2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
Synonyms CHEBI:408923
InChi InChI=1S/C25H30O10/c1-2-13-9-16(28)21(15(27)5-3-14-4-6-17-18(11-14)33-8-7-32-17)19(10-13)34-25-24(31)23(30)22(29)20(12-26)35-25/h4,6,9-11,20,22-26,28-31H,2-3,5,7-8,12H2,1H3/t20-,22-,23+,24-,25-/m1/s1
InChiKey NLZYYMHUDULKQF-PRDVQWLOSA-N
Formula C25H30O10 Molecular Weight 490.50
Cross Link CHEMBL359962
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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