Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: AMADINONE ACETATE
Compound Identifier: 705099
Mol Structure 2D: 705099
Molecular Weight: 391
Formula: C22 H27 Cl O4
Development Status: Preclinical
SMILES: CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CCC4C3CCC21C)C(=O)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222392D 0 0.00000 0.00000 0^^ 31 34 0 1 0 999 V2000^ 0.3667 0.4833 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.2667 0.8708 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9583 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4000 -0.8417 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.1833 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4000 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3667 -0.4000 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.9583 -0.8417 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.1833 -0.4000 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.7333 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4000 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4542 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3292 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1833 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1667 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7333 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5000 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2042 3.0083 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3667 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1833 -2.9375 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -4.2250 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.5000 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1542 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8667 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7000 -1.3792 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.4000 0.1458 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.1500 -1.3500 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.0458 0.1458 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 8 1 0 0 0^ 4 7 1 0 0 0^ 5 6 2 0 0 0^ 6 4 1 0 0 0^ 7 1 1 0 0 0^ 8 9 1 0 0 0^ 9 15 1 0 0 0^ 10 3 2 0 0 0^ 11 1 1 0 0 0^ 12 2 1 0 0 0^ 2 13 1 6 0 0^ 14 7 1 0 0 0^ 15 11 1 0 0 0^ 2 16 1 1 0 0^ 17 8 1 0 0 0^ 18 13 1 0 0 0^ 19 24 1 0 0 0^ 20 18 2 0 0 0^ 21 16 2 0 0 0^ 22 5 1 0 0 0^ 23 19 2 0 0 0^ 24 17 1 0 0 0^ 1 25 1 1 0 0^ 26 18 1 0 0 0^ 27 16 1 0 0 0^ 7 28 1 6 0 0^ 4 29 1 1 0 0^ 9 30 1 6 0 0^ 8 31 1 1 0 0^ 14 12 1 0 0 0^ 9 4 1 0 0 0^ 3 5 1 0 0 0^ 19 10 1 0 0 0^M END^^
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