Viewing Compound With Structures

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Compound Report Overview

Compound Name: CONVALLATOXIN
Compound Identifier: 705691
Mol Structure 2D: 705691
Molecular Weight: 551
Formula: C29 H42 O10
Development Status: Preclinical
SMILES: CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223002D 0 0.00000 0.00000 0^^ 41 46 0 1 0 999 V2000^ 2.9250 0.2250 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.1417 -0.2875 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.9250 1.3000 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.8375 -1.8792 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.1417 -1.3667 0.0000 C 0 0 1 0 0 0 0 0 0^ -4.3625 -2.7875 0.0000 C 0 0 1 0 0 0 0 0 0^ -5.4083 -2.7875 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.0667 0.2458 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.9917 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0^ -4.3833 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2542 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9375 1.6208 0.0000 C 0 0 1 0 0 0 0 0 0^ -5.9583 -1.8792 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.6167 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.4250 -0.9542 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.2542 4.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9375 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9917 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7833 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7833 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0667 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.2167 4.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.5667 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0667 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.2625 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1417 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7000 -1.3417 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.9542 5.3417 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9542 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8375 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1417 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7833 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0^ -5.9208 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0^ -7.0042 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9250 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.9458 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0667 -0.8167 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.9917 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 8 1 0 0 0^ 3 1 1 0 0 0^ 4 22 1 0 0 0^ 5 26 1 0 0 0^ 6 4 1 0 0 0^ 7 6 1 0 0 0^ 8 9 1 0 0 0^ 9 1 1 0 0 0^ 4 10 1 1 0 0^ 11 12 1 0 0 0^ 12 3 1 0 0 0^ 13 15 1 0 0 0^ 14 11 2 0 0 0^ 15 10 1 0 0 0^ 16 14 1 0 0 0^ 17 1 1 0 0 0^ 18 3 1 0 0 0^ 19 5 1 0 0 0^ 20 2 1 0 0 0^ 21 8 1 0 0 0^ 29 22 1 1 0 0^ 23 27 1 0 0 0^ 24 17 1 0 0 0^ 25 9 1 0 0 0^ 26 25 1 0 0 0^ 27 11 1 0 0 0^ 2 28 1 1 0 0^ 29 19 1 0 0 0^ 30 16 2 0 0 0^ 1 31 1 1 0 0^ 6 32 1 6 0 0^ 5 33 1 1 0 0^ 34 28 2 0 0 0^ 7 35 1 6 0 0^ 13 36 1 1 0 0^ 37 20 1 0 0 0^ 3 38 1 1 0 0^ 15 39 1 6 0 0^ 8 40 1 6 0 0^ 9 41 1 1 0 0^ 12 24 1 1 0 0^ 21 18 1 0 0 0^ 5 2 1 0 0 0^ 29 37 1 0 0 0^ 23 16 1 0 0 0^ 13 7 1 0 0 0^M END^^
Structure View
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