Viewing Compound With Structures

Home Icon Home Search Icon Search Certify Doc Icon Certify Doc Certify Doc Icon Genes Certify Doc Icon Clinical Trials Certify Doc Icon CompTox Processes Icon DrugMatrix Open Targets Icon Open Targets Processes Icon Products Support Icon Support Bugs Icon Bugs
Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: PREDNIVAL
Compound Identifier: 701635
Mol Structure 2D: 701635
Molecular Weight: 445
Formula: C26 H36 O6
Development Status: Preclinical
SMILES: CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C)C(=O)CO
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222372D 0 0.00000 0.00000 0^^ 35 38 0 1 0 999 V2000^ -0.1708 0.1208 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.5375 0.3500 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.2000 -1.0375 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.8583 -1.0250 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.2083 -0.6375 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.5208 -0.6500 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.2000 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8083 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5208 0.1083 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.8583 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8708 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8042 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0167 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5625 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5625 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8583 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5625 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5500 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5083 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5625 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7375 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2458 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1500 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1875 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2083 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3542 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1167 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8042 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5042 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 -1.4667 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.8583 -0.2667 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.5333 -1.3750 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 6 1 0 0 0^ 4 5 1 0 0 0^ 5 1 1 0 0 0^ 6 9 1 0 0 0^ 7 3 1 0 0 0^ 8 1 1 0 0 0^ 9 8 1 0 0 0^ 10 3 1 0 0 0^ 11 7 2 0 0 0^ 2 12 1 1 0 0^ 13 2 1 0 0 0^ 2 14 1 6 0 0^ 15 5 1 0 0 0^ 16 4 1 0 0 0^ 17 10 2 0 0 0^ 18 17 1 0 0 0^ 19 14 1 0 0 0^ 20 16 1 0 0 0^ 21 12 2 0 0 0^ 22 19 2 0 0 0^ 23 18 2 0 0 0^ 1 24 1 1 0 0^ 9 25 1 1 0 0^ 3 26 1 1 0 0^ 27 12 1 0 0 0^ 28 27 1 0 0 0^ 29 19 1 0 0 0^ 30 29 1 0 0 0^ 31 30 1 0 0 0^ 32 31 1 0 0 0^ 5 33 1 6 0 0^ 4 34 1 1 0 0^ 6 35 1 6 0 0^ 15 13 1 0 0 0^ 6 4 1 0 0 0^ 7 20 1 0 0 0^ 18 11 1 0 0 0^M END^^
Structure View
View