Viewing Compound With Structures

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Compound Report Overview

Compound Name: DIGOXIN
Compound Identifier: 706437
Mol Structure 2D: 706437
Molecular Weight: 781
Formula: C41 H64 O14
Development Status: US FDA Approved
SMILES: CC1OC(CC(O)C1O)OC2C(C)OC(CC2O)OC3C(C)OC(CC3O)OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222092D 0 0.00000 0.00000 0^^ 58 65 0 1 0 999 V2000^ 1.0250 1.2750 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.9917 1.8000 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.0792 1.2583 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.3750 0.9833 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.5542 0.9958 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.5167 1.9833 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.5375 2.0708 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.6667 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7000 -1.4625 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.2875 -2.7667 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2250 -2.2542 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.6375 -2.7542 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.0792 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7333 -0.3875 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.2208 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1833 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1000 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7625 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6250 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1750 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3625 0.4458 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2458 -1.1875 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.3000 -2.2417 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5667 -2.2000 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.5167 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7458 -3.0542 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.1750 -1.1875 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.0792 -1.9375 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.1750 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5667 -2.7375 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.6958 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1792 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6667 3.3708 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8375 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8375 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3417 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7333 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1042 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0792 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6000 3.5333 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2833 0.4208 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.0542 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5292 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2875 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0167 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7750 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1542 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0792 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3750 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7458 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6458 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0375 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5375 1.6250 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.0542 0.6583 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.3833 -0.1292 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 5 1 0 0 0^ 4 3 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 2 1 0 0 0^ 8 6 1 0 0 0^ 9 23 1 0 0 0^ 10 24 1 0 0 0^ 11 32 1 0 0 0^ 12 33 1 0 0 0^ 13 3 1 0 0 0^ 14 39 1 0 0 0^ 11 15 1 1 0 0^ 14 16 1 1 0 0^ 12 17 1 1 0 0^ 18 11 1 0 0 0^ 19 12 1 0 0 0^ 20 14 1 0 0 0^ 21 8 2 0 0 0^ 22 41 1 0 0 0^ 23 20 1 0 0 0^ 24 18 1 0 0 0^ 25 29 1 0 0 0^ 26 1 1 0 0 0^ 27 15 1 0 0 0^ 28 16 1 0 0 0^ 29 19 1 0 0 0^ 30 21 1 0 0 0^ 31 17 1 0 0 0^ 9 32 1 6 0 0^ 10 33 1 6 0 0^ 34 38 1 0 0 0^ 35 26 1 0 0 0^ 36 4 1 0 0 0^ 37 5 1 0 0 0^ 38 8 1 0 0 0^ 44 39 1 1 0 0^ 40 22 1 0 0 0^ 41 37 1 0 0 0^ 1 42 1 1 0 0^ 43 30 2 0 0 0^ 44 40 1 0 0 0^ 2 45 1 1 0 0^ 7 46 1 1 0 0^ 47 36 1 0 0 0^ 25 48 1 6 0 0^ 23 49 1 6 0 0^ 24 50 1 6 0 0^ 29 51 1 6 0 0^ 4 52 1 1 0 0^ 27 53 1 1 0 0^ 28 54 1 1 0 0^ 31 55 1 1 0 0^ 5 56 1 1 0 0^ 3 57 1 6 0 0^ 22 58 1 1 0 0^ 6 35 1 1 0 0^ 13 7 1 0 0 0^ 22 4 1 0 0 0^ 44 47 1 0 0 0^ 34 30 1 0 0 0^ 9 28 1 0 0 0^ 10 27 1 0 0 0^ 25 31 1 0 0 0^M END^^
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