CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00241931" 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 CFAMM00241931
Family CFFID1538 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand 4-benzyl-1-chroman-2-ylmethyl-piperidine Family
Superfamily CFSAD297 Alpha adrenergic receptor Ligand Phenoxybenzamine Superfamily
Class CFCAD280 Class 280
External ID ZINC04029544 External Source ZINC
PubChem CID 7079268 Functional Category Natural Product
Molecule Name AC1OEECF
IUPAC Name 3-[(2S,4aR,10bR)-2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl]prop-2-ynyl-benzyl-methyl-propan-2-ylazanium
Synonyms ZINC04029544;3-[(2S,4aR,10bR)-2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl]prop-2-ynyl-benzyl-methyl-propan-2-ylazanium
InChi InChI=1S/C29H38NO2/c1-22(2)30(6,21-23-13-8-7-9-14-23)20-12-18-29(5)19-17-25-27(32-29)24-15-10-11-16-26(24)31-28(25,3)4/h7-11,13-16,22,25,27H,17,19-21H2,1-6H3/q+1/t25-,27+,29-,30?/m1/s1
Formula C29H38NO2+ Molecular Weight 432.62
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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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