Viewing Compound With Structures

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Compound Report Overview

Compound Name: ALLETORPHINE
Compound Identifier: 706771
Mol Structure 2D: 706771
Molecular Weight: 452
Formula: C28 H37 N O4
Development Status: Preclinical
SMILES: CCCC(C)(O)C1CC23C=CC1(OC)C4Oc5c6c(CC3N(CC=C)CCC462)ccc5O
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^ 11.4000 -1.1125 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 2 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 3 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^ 10.1792 2.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.5626 1.8628 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5875 -1.4458 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^ 8 19 1 0 0 0^ 10 11 1 0 0 0^ 17 20 1 0 0 0^ 19 20 1 0 0 0^ 11 6 2 0 0 0^ 11 3 1 0 0 0^ 12 13 1 0 0 0^ 12 21 1 1 0 0^ 6 7 1 0 0 0^ 21 22 1 1 0 0^ 22 2 1 0 0 0^ 20 2 1 0 0 0^ 6 4 1 0 0 0^ 7 8 2 0 0 0^ 20 23 1 6 0 0^ 15 24 1 6 0 0^ 24 1 1 0 0 0^ 4 13 1 0 0 0^ 24 25 1 0 0 0^ 8 9 1 0 0 0^ 5 26 1 0 0 0^ 12 17 1 0 0 0^ 17 27 1 6 0 0^ 13 14 1 0 0 0^ 27 28 2 0 0 0^ 14 28 1 6 0 0^ 14 15 1 0 0 0^ 2 29 1 0 0 0^ 15 16 1 0 0 0^ 29 30 1 0 0 0^ 31 30 2 0 0 0^ 16 17 1 0 0 0^ 9 10 2 0 0 0^ 3 32 1 0 0 0^ 13 18 1 1 0 0^ 24 33 1 0 0 0^ 14 5 1 0 0 0^ 33 34 1 0 0 0^ 12 7 1 0 0 0^ 34 35 1 0 0 0^M END^^
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