Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: LUPROSTIOL
Compound Identifier: 702092
Mol Structure 2D: 702092
Molecular Weight: 445
Formula: C21 H29 Cl O6 S
Development Status: Preclinical
SMILES: OC(COc1cccc(Cl)c1)CSC2C(O)CC(O)C2CC=CCCCC(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222472D 0 0.00000 0.00000 0^^ 30 31 0 1 0 999 V2000^ -2.3833 -0.6000 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.8083 0.0833 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.6833 -0.1167 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.6833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8875 -1.2167 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.3958 -1.1625 0.0000 S 0 0 0 0 0 0 0 0 0^ 1.4125 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5792 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8292 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4583 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4583 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4208 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0917 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3417 -1.6000 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.8292 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5167 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2333 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5208 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2708 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2375 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1000 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5167 1.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 1.1167 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.3417 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6542 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2000 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6125 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0000 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 -2.2625 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 5 1 0 0 0^ 5 1 1 0 0 0^ 1 6 1 1 0 0^ 7 25 1 0 0 0^ 8 7 2 0 0 0^ 9 15 1 0 0 0^ 10 19 1 0 0 0^ 11 10 2 0 0 0^ 12 6 1 0 0 0^ 13 20 1 0 0 0^ 14 12 1 0 0 0^ 15 13 1 0 0 0^ 16 9 2 0 0 0^ 3 17 1 6 0 0^ 5 18 1 6 0 0^ 2 19 1 6 0 0^ 20 14 1 0 0 0^ 21 7 1 0 0 0^ 22 16 1 0 0 0^ 14 23 1 6 0 0^ 24 27 1 0 0 0^ 25 29 1 0 0 0^ 26 11 1 0 0 0^ 27 15 2 0 0 0^ 28 24 2 0 0 0^ 29 26 1 0 0 0^ 14 30 1 1 0 0^ 4 3 1 0 0 0^ 28 16 1 0 0 0^M END^^
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