CFam Chemical Families Database
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You are searching for "CFAMM00015426" in compound.

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CFAM Mol ID CFAMM00015426
Family CFFAD69 u-type opioid receptor ligand opiate analog Buprenorphine Family
Superfamily CFSAD66 opioid receptor ligand opiate Codeine Buprenorphine Oxymorphone Superfamily
Class CFCAD66 Class 66
External ID CHEMBL610611 External Source CHEMBL
PubChem CID 46877691 Functional Category Bioactive
Molecule Name ethyl (2'R,4R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,3'-oxirane]-2'-carboxylate
IUPAC Name ethyl (2'R,4R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,3'-oxirane]-2'-carboxylate
Synonyms
InChi InChI=1S/C24H29NO6/c1-2-29-20(27)19-23(31-19)7-8-24(28)16-11-14-5-6-15(26)18-17(14)22(24,21(23)30-18)9-10-25(16)12-13-3-4-13/h5-6,13,16,19,21,26,28H,2-4,7-12H2,1H3/t16-,19+,21?,22+,23?,24?/m1/s1
InChiKey LRXVHEQUQAIGOG-HGGGIZOGSA-N
Formula C24H29NO6 Molecular Weight 427.49
Cross Link CHEMBL610611
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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