CFam Chemical Families Database
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You are searching for "CFAMM00015638" in compound.

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CFAM Mol ID CFAMM00015638
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 CHEMBL105081 External Source CHEMBL
PubChem CID 44334847 Functional Category Bioactive
Molecule Name (4aS,6S,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6,3'-2,4-dihydro-1H-naphthalene]-7-one
IUPAC Name (4aS,6S,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6,3'-2,4-dihydro-1H-naphthalene]-7-one
Synonyms CHEBI:270671;7 alpha-Spirobenzocyclohexylnaltrexone
InChi InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27-,28?,29+/m0/s1
Formula C29H31NO4 Molecular Weight 457.56
Cross Link CHEMBL105081

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).

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