Viewing Compound With Structures

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Compound Report Overview

Compound Name: PREDNICARBATE
Compound Identifier: 700702
Mol Structure 2D: 700702
Molecular Weight: 489
Formula: C27 H36 O8
Development Status: US FDA Approved
SMILES: CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C)C(=O)COC(=O)CC
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222202D 0 0.00000 0.00000 0^^ 38 41 0 1 0 999 V2000^ -0.1583 0.0833 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.6667 0.3333 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.3750 -1.2125 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.8958 -1.2125 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.1583 -0.7792 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.6333 -0.7750 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.3750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8958 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6333 0.0833 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.1208 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6667 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1208 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3542 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0375 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1500 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6667 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8958 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8583 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8583 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6333 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8000 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3792 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0375 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0542 2.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0792 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8042 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3833 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1583 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3750 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7542 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3750 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5042 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4625 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2042 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1625 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1583 -1.5417 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.8958 -0.4042 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.6458 -1.5875 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^ 2 11 1 1 0 0^ 12 7 2 0 0 0^ 2 13 1 6 0 0^ 14 13 1 0 0 0^ 15 2 1 0 0 0^ 16 5 1 0 0 0^ 17 4 1 0 0 0^ 18 10 2 0 0 0^ 19 18 1 0 0 0^ 20 17 1 0 0 0^ 21 25 1 0 0 0^ 22 11 1 0 0 0^ 23 14 2 0 0 0^ 24 11 2 0 0 0^ 25 22 1 0 0 0^ 26 21 2 0 0 0^ 27 19 2 0 0 0^ 1 28 1 1 0 0^ 9 29 1 1 0 0^ 30 14 1 0 0 0^ 3 31 1 1 0 0^ 32 21 1 0 0 0^ 33 30 1 0 0 0^ 34 32 1 0 0 0^ 35 33 1 0 0 0^ 5 36 1 6 0 0^ 4 37 1 1 0 0^ 6 38 1 6 0 0^ 16 15 1 0 0 0^ 6 4 1 0 0 0^ 7 20 1 0 0 0^ 19 12 1 0 0 0^M END^^
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