Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: DECOQUINATE
Compound Identifier: 701685
Mol Structure 2D: 701685
Molecular Weight: 418
Formula: C24 H35 N O5
Development Status: Preclinical
SMILES: CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222382D 0 0.00000 0.00000 0^^ 30 31 0 0 0 999 V2000^ 2.3792 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7375 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7292 -3.2375 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.4042 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0625 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3917 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2583 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2583 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0875 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.7375 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.7167 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9208 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9208 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6917 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7958 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5625 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5625 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3333 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6833 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0083 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0083 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6625 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3458 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3500 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1000 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 3.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 2 0 0 0^ 3 1 1 0 0 0^ 4 5 2 0 0 0^ 5 8 1 0 0 0^ 6 2 1 0 0 0^ 7 1 1 0 0 0^ 8 1 2 0 0 0^ 9 4 1 0 0 0^ 10 6 2 0 0 0^ 11 9 2 0 0 0^ 12 7 2 0 0 0^ 13 3 1 0 0 0^ 14 7 1 0 0 0^ 15 10 1 0 0 0^ 16 11 1 0 0 0^ 17 14 1 0 0 0^ 18 16 1 0 0 0^ 19 15 1 0 0 0^ 20 19 1 0 0 0^ 21 22 1 0 0 0^ 22 25 1 0 0 0^ 23 27 1 0 0 0^ 24 23 1 0 0 0^ 25 24 1 0 0 0^ 26 20 1 0 0 0^ 27 26 1 0 0 0^ 28 18 1 0 0 0^ 29 17 1 0 0 0^ 30 21 1 0 0 0^ 4 2 1 0 0 0^ 11 10 1 0 0 0^M END^^
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