Viewing Compound With Structures

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Compound Report Overview

Compound Name: MESPIRENONE
Compound Identifier: 702280
Mol Structure 2D: 702280
Molecular Weight: 427
Formula: C25 H30 O4 S
Development Status: Preclinical
SMILES: CC(=O)SC1CC2=CC(=O)C=CC2(C)C3CCC4(C)C(C5CC5C64CCC(=O)O6)C13
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222512D 0 0.00000 0.00000 0^^ 36 41 0 1 0 999 V2000^ 2.5167 0.8958 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.1375 0.0208 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.4792 0.5708 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.5167 -0.8667 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.4625 -0.5375 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.3583 -1.0792 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.5167 -1.0792 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.3583 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4208 -0.5167 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.7917 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5375 -2.1250 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.1792 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3000 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3000 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4208 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5167 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4500 -2.7375 0.0000 S 0 0 0 0 0 0 0 0 0^ 3.6292 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4208 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1542 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2458 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2458 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3500 3.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3125 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2083 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.1125 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3167 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3583 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2625 0.0375 0.0000 H 0 0 0 0 0 0 0 0 0^ 3.1375 -1.7542 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.8625 -1.5417 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.5167 0.0208 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.4458 -1.6417 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.4792 -3.2667 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 3 1 0 0 0^ 6 9 1 0 0 0^ 7 5 1 0 0 0^ 8 6 1 0 0 0^ 9 19 1 0 0 0^ 10 2 1 0 0 0^ 11 7 1 0 0 0^ 1 12 1 1 0 0^ 13 6 1 0 0 0^ 14 8 2 0 0 0^ 15 11 1 0 0 0^ 16 3 1 0 0 0^ 11 17 1 6 0 0^ 1 18 1 6 0 0^ 19 16 1 0 0 0^ 20 12 1 0 0 0^ 21 13 2 0 0 0^ 22 21 1 0 0 0^ 23 17 1 0 0 0^ 24 20 2 0 0 0^ 25 23 2 0 0 0^ 26 22 2 0 0 0^ 27 18 1 0 0 0^ 3 28 1 1 0 0^ 6 29 1 1 0 0^ 30 23 1 0 0 0^ 2 31 1 6 0 0^ 4 32 1 6 0 0^ 5 33 1 6 0 0^ 7 34 1 1 0 0^ 9 35 1 6 0 0^ 11 36 1 1 0 0^ 27 20 1 0 0 0^ 5 4 1 0 0 0^ 10 4 1 0 0 0^ 9 7 1 0 0 0^ 8 15 1 0 0 0^ 22 14 1 0 0 0^M END^^
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