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Compound Report Overview

Compound Name: ESORUBICIN
Compound Identifier: 702057
Mol Structure 2D: 702057
Molecular Weight: 528
Formula: C27 H29 N O10
Development Status: Preclinical
SMILES: COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222462D 0 0.00000 0.00000 0^^ 38 42 0 1 0 999 V2000^ -1.2083 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2083 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9958 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9958 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3542 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3542 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4208 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4208 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9250 1.4833 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.1375 0.0875 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.1375 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9250 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9250 -1.2667 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.7375 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8625 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1375 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7042 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9958 2.8500 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9958 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.5625 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4917 -1.3000 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.4542 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6500 -2.6375 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.9417 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4208 2.8500 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4208 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2000 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.5625 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2750 -0.8625 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5625 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3167 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2792 3.4333 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6167 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 2 1 0 0 0^ 4 1 1 0 0 0^ 5 6 1 0 0 0^ 6 8 2 0 0 0^ 7 10 2 0 0 0^ 8 1 1 0 0 0^ 9 2 1 0 0 0^ 10 4 1 0 0 0^ 11 13 1 0 0 0^ 12 5 1 0 0 0^ 13 6 1 0 0 0^ 14 11 1 0 0 0^ 15 18 1 1 0 0^ 11 16 1 1 0 0^ 17 15 1 0 0 0^ 12 18 1 6 0 0^ 19 15 1 0 0 0^ 20 4 2 0 0 0^ 21 3 2 0 0 0^ 22 7 1 0 0 0^ 23 19 1 0 0 0^ 24 23 1 0 0 0^ 25 17 1 0 0 0^ 26 16 2 0 0 0^ 27 8 1 0 0 0^ 28 9 1 0 0 0^ 11 29 1 6 0 0^ 30 10 1 0 0 0^ 23 31 1 6 0 0^ 32 22 1 0 0 0^ 33 16 1 0 0 0^ 34 33 1 0 0 0^ 35 30 2 0 0 0^ 36 35 1 0 0 0^ 25 37 1 6 0 0^ 38 32 1 0 0 0^ 5 9 2 0 0 0^ 7 3 1 0 0 0^ 12 14 1 0 0 0^ 22 36 2 0 0 0^ 24 25 1 0 0 0^M END^^
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