CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00398942" 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 CFAMM00398942
Family CFFBM9983 Kappa-type opioid receptor and Cytochrome P450 2D6 ligand SureCN5848975 family
Superfamily CFSBM4970 Cytochrome P450 2D6 and Kappa-type opioid receptor Binder Superfamily
Class CFCBM1602 Class 4652
External ID ZINC08917756 External Source ZINC
PubChem CID 16399482 Functional Category Natural Product
Molecule Name ((1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)(9H-xanthen-9-yl)methanone
IUPAC Name [(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(9H-xanthen-9-yl)methanone
Synonyms MolPort-002-520-628;ZINC08917756;MCULE-4236051189
InChi InChI=1S/C30H31NO4/c1-34-24-14-5-4-12-22(24)28-23-13-8-9-17-30(23,33)18-19-31(28)29(32)27-20-10-2-6-15-25(20)35-26-16-7-3-11-21(26)27/h2-7,10-12,14-16,23,27-28,33H,8-9,13,17-19H2,1H3/t23-,28-,30-/m0/s1
Formula C30H31NO4 Molecular Weight 469.57
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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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