CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00016041" 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 CFAMM00016041
Family CFFAD73 Alpha adrenergic receptor ligand ergot alkaloid Dihydroergotamine Family
Superfamily CFSAD71 biogenic amine receptor binding ergot alkaloid Superfamily
Class CFCAD71 Class 71
External ID CHEMBL1255837 External Source CHEMBL
PubChem CID 444034 Functional Category Bioactive
Synonyms CHEBI:31490;Dihydroergocristine methanesulfonate salt;ST056345;Dihydroergocristine methanesulfonate;SMR000058240;24730-10-7;Diertine (TN);Prestwick_745;DS7CL18UAM;Dihydroergocristine mesilate
InChi InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
Formula C36H45N5O8S Molecular Weight 707.84
Cross Link CHEMBL1255837

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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