CFam Chemical Families Database
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You are searching for "CFAMM00015522" 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.

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CFAM Mol ID CFAMM00015522
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 CHEMBL319592 External Source CHEMBL
PubChem CID 44329417 Functional Category Bioactive
Molecule Name (4aS,6E,7aR)-6-benzylidene-4a,9-dihydroxy-3-(2-methylprop-2-enyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
IUPAC Name (4aS,6E,7aR)-6-benzylidene-4a,9-dihydroxy-3-(2-methylprop-2-enyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Synonyms CHEBI:259329
InChi InChI=1S/C27H27NO4/c1-16(2)15-28-11-10-26-22-18-8-9-20(29)24(22)32-25(26)23(30)19(12-17-6-4-3-5-7-17)14-27(26,31)21(28)13-18/h3-9,12,21,25,29,31H,1,10-11,13-15H2,2H3/b19-12+/t21?,25-,26?,27+/m0/s1
InChiKey KALDRDBYYDIPIB-PUJRXAIYSA-N
Formula C27H27NO4 Molecular Weight 429.51
Cross Link CHEMBL319592
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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