CFAM Mol ID	CFAMM00015744
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	CHEMBL80531	External Source	CHEMBL
PubChem CID	15663420	Functional Category	Bioactive
Molecule Name	(5S)-5-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxymethyl]-3-methylideneoxolan-2-one
IUPAC Name	(5S)-5-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxymethyl]-3-methylideneoxolan-2-one
Synonyms	CHEBI:224518
InChi	InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19+,20+,23-,25-,26+/m0/s1
InChiKey	AYJLAUNORPKULA-NOJKVUSZSA-N
Formula	C26H31NO6	Molecular Weight	453.53
Cross Link	CHEMBL80531
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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