Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: EMETINE
Compound Identifier: 704452
Mol Structure 2D: 704452
Molecular Weight: 481
Formula: C29 H40 N2 O4
Development Status: Preclinical
SMILES: CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4NCCc5cc(OC)c(OC)cc45
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222092D 0 0.00000 0.00000 0^^ 38 42 0 1 0 999 V2000^ -0.7708 1.1375 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.0750 0.5958 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.7458 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7500 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0750 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7708 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0583 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0625 -0.5417 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.9917 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1333 0.0208 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.0792 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1333 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7083 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1792 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7000 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7542 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0333 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9792 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.1875 0.5625 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.1083 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7333 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1542 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0500 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9542 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.7000 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6625 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8875 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9292 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6875 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6625 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4333 -0.0542 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.6083 -0.5167 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.2167 0.0208 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 8 1 0 0 0^ 5 23 1 0 0 0^ 6 2 1 0 0 0^ 7 3 1 0 0 0^ 8 15 1 0 0 0^ 9 4 1 0 0 0^ 10 21 1 0 0 0^ 11 4 2 0 0 0^ 12 1 1 0 0 0^ 13 7 2 0 0 0^ 14 9 2 0 0 0^ 15 10 1 0 0 0^ 16 5 1 0 0 0^ 17 11 1 0 0 0^ 18 16 2 0 0 0^ 19 17 2 0 0 0^ 20 8 1 0 0 0^ 21 12 1 0 0 0^ 22 1 1 0 0 0^ 23 22 1 0 0 0^ 24 20 1 0 0 0^ 25 13 1 0 0 0^ 26 14 1 0 0 0^ 27 18 1 0 0 0^ 28 19 1 0 0 0^ 29 24 1 0 0 0^ 21 30 1 6 0 0^ 31 27 1 0 0 0^ 32 25 1 0 0 0^ 33 26 1 0 0 0^ 34 28 1 0 0 0^ 35 30 1 0 0 0^ 2 36 1 6 0 0^ 10 37 1 6 0 0^ 8 38 1 1 0 0^ 5 3 2 0 0 0^ 10 6 1 0 0 0^ 18 13 1 0 0 0^ 29 11 1 0 0 0^ 19 14 1 0 0 0^M END^^
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