Viewing Compound With Structures

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Compound Report Overview

Compound Name: ACETORPHINE
Compound Identifier: 706774
Mol Structure 2D: 706774
Molecular Weight: 454
Formula: C27 H35 N O5
Development Status: Preclinical
SMILES: CCCC(C)(O)C1CC23C=CC1(OC)C4Oc5c6c(CC3N(C)CCC462)ccc5OC(=O)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222402D 0 0.00000 0.00000 0^^ 35 40 0 1 0 999 V2000^ 7.5333 -2.6458 0.0000 O 0 0 0 0 0 0 0 0 0^ 11.2750 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.1000 1.8875 0.0000 N 0 0 3 0 0 0 0 0 0^ 7.2958 -1.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.7708 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0^ 10.2042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.2065 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4271 0.0270 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9637 0.5508 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2754 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0531 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.5222 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.1294 0.0251 0.0000 C 0 0 1 0 0 0 0 0 0^ 9.3420 -0.6466 0.0000 C 0 0 1 0 0 0 0 0 0^ 10.0255 -0.7995 0.0000 C 0 0 1 0 0 0 0 0 0^ 10.5014 -0.2835 0.0000 C 0 0 2 0 0 0 0 0 0^ 10.2930 0.3882 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.6046 0.5437 0.0000 C 0 0 2 0 0 0 0 0 0^ 9.5208 -1.3292 0.0000 H 0 0 0 0 0 0 0 0 0^ 8.4583 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.1000 1.0458 0.0000 C 0 0 1 0 0 0 0 0 0^ 8.6375 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.6375 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.6333 1.5750 0.0000 H 0 0 0 0 0 0 0 0 0^ 11.1923 -0.4395 0.0000 C 0 0 1 0 0 0 0 0 0^ 11.6729 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.7000 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9625 0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.6792 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.3817 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.8042 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.4167 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.0292 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7624 -1.9788 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4572 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0^ 13 8 1 0 0 0^ 9 20 1 0 0 0^ 11 12 1 0 0 0^ 18 21 1 0 0 0^ 20 21 1 0 0 0^ 12 7 2 0 0 0^ 12 4 1 0 0 0^ 13 14 1 0 0 0^ 13 22 1 1 0 0^ 7 8 1 0 0 0^ 22 23 1 1 0 0^ 23 3 1 0 0 0^ 21 3 1 0 0 0^ 7 5 1 0 0 0^ 8 9 2 0 0 0^ 21 24 1 6 0 0^ 16 25 1 6 0 0^ 25 2 1 0 0 0^ 5 14 1 0 0 0^ 25 26 1 1 0 0^ 9 10 1 0 0 0^ 6 27 1 0 0 0^ 13 18 1 0 0 0^ 18 28 1 6 0 0^ 14 15 1 0 0 0^ 28 29 2 0 0 0^ 15 29 1 6 0 0^ 15 16 1 0 0 0^ 3 30 1 0 0 0^ 16 17 1 0 0 0^ 25 31 1 0 0 0^ 17 18 1 0 0 0^ 31 32 1 0 0 0^ 10 11 2 0 0 0^ 32 33 1 0 0 0^ 14 19 1 6 0 0^ 4 34 1 0 0 0^ 34 1 2 0 0 0^ 15 6 1 0 0 0^ 34 35 1 0 0 0^M END^^
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