Viewing Compound With Structures

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Compound Report Overview

Compound Name: VINROSIDINE
Compound Identifier: 701636
Mol Structure 2D: 701636
Molecular Weight: 811
Formula: C46 H58 N4 O9
Development Status: Preclinical
SMILES: CCC1CN2CC(CC(C(=O)OC)(c3[nH]c4ccccc4c3CC2)c5cc6c(cc5OC)N(C)C7C86CCN9CC=CC(CC)(C98)C(OC(=O)C)C7(O)C(=O)OC)C1O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222372D 0 0.00000 0.00000 0^^ 63 71 0 1 0 999 V2000^ 2.2792 -3.6292 0.0000 C 0 0 1 0 0 0 0 0 0^ 5.5375 -3.5292 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.6167 -4.1000 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6375 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8792 -4.1542 0.0000 C 0 0 2 0 0 0 0 0 0^ 6.6292 -2.9292 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.4417 -4.7542 0.0000 N 0 0 3 0 0 0 0 0 0^ 5.9000 -2.7917 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.8375 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.9292 -3.4917 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.6042 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3417 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8917 -4.6417 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2792 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6375 -2.5792 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.3375 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8500 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6250 -1.9792 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.8292 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6167 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6542 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6000 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3792 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0500 -2.5417 0.0000 N 0 0 3 0 0 0 0 0 0^ 4.6542 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9417 -1.3792 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6375 -1.7417 0.0000 C 0 0 3 0 0 0 0 0 0^ 7.8625 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.9042 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8042 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0500 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.5542 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8375 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7542 -5.1042 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.6792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6750 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6417 -2.5917 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5083 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.7000 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.6042 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.3667 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.1625 -4.5875 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6417 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3167 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1250 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9917 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4750 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4292 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7667 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.9667 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5625 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9542 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6167 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0375 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7792 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2000 -3.5667 0.0000 H 0 0 0 0 0 0 0 0 0^ 6.0667 -4.9875 0.0000 H 0 0 0 0 0 0 0 0 0^ 8.0042 -3.0417 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.4417 -1.9250 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 11 1 0 0 0^ 3 5 1 0 0 0^ 4 1 1 0 0 0^ 5 2 1 0 0 0^ 6 8 1 0 0 0^ 7 9 1 0 0 0^ 8 2 1 0 0 0^ 9 17 1 0 0 0^ 10 6 1 0 0 0^ 11 18 1 0 0 0^ 1 12 1 6 0 0^ 13 4 2 0 0 0^ 14 4 1 0 0 0^ 15 1 1 0 0 0^ 16 15 1 0 0 0^ 17 23 2 0 0 0^ 18 12 2 0 0 0^ 19 8 1 0 0 0^ 1 20 1 1 0 0^ 21 13 1 0 0 0^ 3 22 1 6 0 0^ 23 12 1 0 0 0^ 24 14 1 0 0 0^ 25 32 1 0 0 0^ 2 26 1 1 0 0^ 27 28 1 0 0 0^ 28 16 1 0 0 0^ 10 29 1 1 0 0^ 30 6 1 0 0 0^ 31 13 1 0 0 0^ 16 32 1 6 0 0^ 33 25 1 0 0 0^ 34 29 1 0 0 0^ 35 26 1 0 0 0^ 3 36 1 1 0 0^ 37 44 1 0 0 0^ 38 22 2 0 0 0^ 39 20 2 0 0 0^ 40 31 1 0 0 0^ 41 34 2 0 0 0^ 6 42 1 6 0 0^ 43 7 1 0 0 0^ 44 19 1 0 0 0^ 45 22 1 0 0 0^ 46 20 1 0 0 0^ 47 23 1 0 0 0^ 28 48 1 4 0 0^ 27 49 1 6 0 0^ 50 21 1 0 0 0^ 51 24 1 0 0 0^ 52 34 1 0 0 0^ 53 46 1 0 0 0^ 54 45 1 0 0 0^ 55 47 1 0 0 0^ 56 42 1 0 0 0^ 57 49 1 0 0 0^ 58 50 2 0 0 0^ 59 51 2 0 0 0^ 8 60 1 6 0 0^ 5 61 1 1 0 0^ 10 62 1 6 0 0^ 16 63 1 6 0 0^ 9 11 2 0 0 0^ 24 21 2 0 0 0^ 25 40 1 0 0 0^ 33 27 1 0 0 0^ 7 5 1 0 0 0^ 59 58 1 0 0 0^ 35 19 1 0 0 0^ 10 3 1 0 0 0^ 37 30 2 0 0 0^M END^^
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