Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: EPOTHILONE D
Compound Identifier: 702636
Mol Structure 2D: 702636
Molecular Weight: 492
Formula: C27 H41 N O5 S
Development Status: Discontinued at Phase II/III
SMILES: CC1CCCC2OC2CC(OC(=O)CC(O)C(C)(C)C(=O)C(C)C1O)C(=Cc3csc(C)n3)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222582D 0 0.00000 0.00000 0^^ 34 36 0 1 0 999 V2000^ -1.3125 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3000 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6625 -0.7375 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.5375 0.0333 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5375 -1.5042 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.0000 2.1833 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9333 -0.7542 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8750 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1667 0.8833 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.3042 0.0083 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2042 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5792 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5542 -2.3792 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.5583 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1458 3.5000 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.3458 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7042 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2792 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8417 -2.7792 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.2542 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0042 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2375 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3667 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1167 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5708 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3750 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1542 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1375 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8292 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 12 1 0 0 0^ 4 1 1 1 0 0^ 5 17 1 0 0 0^ 6 9 1 0 0 0^ 7 1 1 6 0 0^ 8 10 1 0 0 0^ 9 15 1 0 0 0^ 10 11 1 0 0 0^ 11 13 1 0 0 0^ 12 14 1 0 0 0^ 13 4 1 0 0 0^ 14 8 1 0 0 0^ 15 16 2 0 0 0^ 16 11 1 0 0 0^ 17 23 1 0 0 0^ 18 6 2 0 0 0^ 19 20 1 0 0 0^ 20 9 2 0 0 0^ 21 2 2 0 0 0^ 22 8 2 0 0 0^ 23 33 1 0 0 0^ 17 24 1 1 0 0^ 12 25 1 1 0 0^ 26 3 1 0 0 0^ 27 3 1 0 0 0^ 5 28 1 1 0 0^ 29 7 1 0 0 0^ 30 16 1 0 0 0^ 31 18 1 0 0 0^ 32 29 1 0 0 0^ 33 32 1 0 0 0^ 23 34 1 1 0 0^ 7 4 1 0 0 0^ 19 18 1 0 0 0^ 2 3 1 0 0 0^M END^^
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