CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00298586" 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 CFAMM00298586
Family CFFID3861 D(2) dopamine receptor Ligand (s)-secoantioquine Family
Superfamily CFSCD637 Heat shock protein 90, putative Inhibitor KW-2478 Superfamily
Class CFCAD727 Class 727
External ID ZINC08917966 External Source ZINC
PubChem CID 16399942 Functional Category Natural Product
Molecule Name ((1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(3,4,5-triethoxyphenyl)methanone
IUPAC Name [(1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
Synonyms MolPort-002-522-214;ZINC08917966;MCULE-7417958785
InChi InChI=1S/C30H41NO6/c1-5-34-24-15-10-9-13-22(24)27-23-14-11-12-16-30(23,33)17-18-31(27)29(32)21-19-25(35-6-2)28(37-8-4)26(20-21)36-7-3/h9-10,13,15,19-20,23,27,33H,5-8,11-12,14,16-18H2,1-4H3/t23-,27-,30-/m0/s1
Formula C30H41NO6 Molecular Weight 511.65
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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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