Viewing Compound With Structures

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Compound Report Overview

Compound Name: TOLYPOMYCIN Y
Compound Identifier: 705703
Mol Structure 2D: 705703
Molecular Weight: 823
Formula: C43 H54 N2 O14
Development Status: Preclinical
SMILES: COC1C=COC2(C)Oc3c(C2=O)c4C(=NC5CCC(O)OC5C)C=C(NC(=O)C(=CC(=O)C6CC6C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)C(=O)c4c(O)c3C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223002D 0 0.00000 0.00000 0^^ 60 65 0 1 0 999 V2000^ 0.4000 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3000 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2083 3.5958 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.3000 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4625 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8417 3.4833 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.8375 -2.8917 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.1792 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4167 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1792 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3375 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7042 0.5708 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.4625 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8833 1.5208 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.1000 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9750 2.5833 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.0750 3.0333 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.6542 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0750 2.9083 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.1667 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.1083 3.1500 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.6375 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3792 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.7583 0.9333 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.8667 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0083 -2.3500 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.9458 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0625 -3.3625 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.9542 -2.8542 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.9208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9333 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8208 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.7083 -0.1250 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.8542 -4.4250 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.8167 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2042 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0875 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3917 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2250 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0417 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4167 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3458 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3458 4.1792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.4333 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9542 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3833 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.9208 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3750 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7500 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0^ -5.6000 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0^ -5.6958 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3792 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5708 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9542 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ -6.5167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1083 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 4 2 0 0 0^ 3 7 1 0 0 0^ 4 1 1 0 0 0^ 5 1 2 0 0 0^ 6 17 2 0 0 0^ 7 22 1 1 0 0^ 8 12 1 0 0 0^ 9 4 1 0 0 0^ 10 5 1 0 0 0^ 11 15 2 0 0 0^ 12 1 1 0 0 0^ 13 7 1 0 0 0^ 14 6 1 0 0 0^ 15 5 1 0 0 0^ 16 2 1 0 0 0^ 17 9 1 0 0 0^ 18 28 1 0 0 0^ 19 14 1 0 0 0^ 20 18 1 0 0 0^ 21 23 1 0 0 0^ 22 26 1 0 0 0^ 23 25 1 0 0 0^ 24 9 2 0 0 0^ 25 20 1 0 0 0^ 26 27 2 0 0 0^ 27 19 1 0 0 0^ 28 37 1 0 0 0^ 29 33 1 0 0 0^ 30 8 1 0 0 0^ 18 31 1 6 0 0^ 32 24 1 1 0 0^ 33 32 1 0 0 0^ 34 30 1 0 0 0^ 35 31 1 0 0 0^ 36 34 2 0 0 0^ 37 36 1 0 0 0^ 38 49 1 0 0 0^ 39 12 2 0 0 0^ 40 16 2 0 0 0^ 41 19 2 0 0 0^ 42 22 2 0 0 0^ 43 35 2 0 0 0^ 44 32 1 0 0 0^ 45 11 1 0 0 0^ 21 46 1 6 0 0^ 25 47 1 6 0 0^ 8 48 1 6 0 0^ 49 44 1 0 0 0^ 50 15 1 0 0 0^ 20 51 1 6 0 0^ 23 52 1 1 0 0^ 38 53 1 6 0 0^ 37 54 1 6 0 0^ 28 55 1 1 0 0^ 56 27 1 0 0 0^ 57 35 1 0 0 0^ 33 58 1 6 0 0^ 59 54 1 0 0 0^ 3 60 1 6 0 0^ 8 10 1 0 0 0^ 11 2 1 0 0 0^ 6 16 1 0 0 0^ 38 29 1 0 0 0^ 13 3 1 0 0 0^ 21 3 1 0 0 0^M END^^
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