Table 4.
Structure of Aconitine alkaloids with toxic activity.
| No. | CAS. NO | Substituent in R1 to R13 | pLD50 |
|---|---|---|---|
| 1 | 302-27-2 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-ethyl | 4.92 |
| 2* | 545-56-2 | methoxymethyl-H-hydroxy-methoxy-hydroxy-hydroxy-H-methoxy-hydroxy-H-H-H-ethyl | 1.96 |
| 3 | 127-29-7 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-H-methoxy-methyl 2,3-dimethoxybenzoate-H-hydroxy-H-ethyl | 1.44 |
| 4 | 509-18-2 | methoxymethyl-H-hydroxy-methoxy-hydroxy-hydroxy-H-methoxy-methoxy-H-H-H-ethyl | 1.76 |
| 5* | 466-24-0 | methoxymethyl-hydroxy-methoxy-methoxy-H-hydroxy-hydroxy-methoxy-benzoxy-H-hydroxy-H-ethyl | 3.00 |
| 6 | 2752-64-9 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-methy | 5.00 |
| 7 | 4491-19-4 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-H-methoxy-benzoxy-H-hydroxy-H-ethyl | 4.33 |
| 8* | 6900-87-4 | methoxymethyl-H-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-methy | 4.33 |
| 9 | 1356-52-1 | H-H-methoxy-H-H-hydroxy-H-methoxy-benzoxy-H-H-hydroxy-H-ethyl | 2.55 |
| 10 | 6836-11-9 | methy-H-methoxy-acetoxyl-dioxolane-H-H-methoxy-methoxy-H-H-hydroxy-ethyl | 1.88 |
| 11 | 8006-38-0 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-ethyl | 4.78 |
| 12* | 20501-56-8 | methoxymethyl-H-methoxy-H-H-hydroxy-H-methoxy-hydroxy-H-H-H-ethyl | 4.94 |
| 13 | 21019-30-7 | 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate ethyl-H-methoxy-methoxy-hydroxy-hydroxy-H-methoxy-methoxy-H-H-H-ethyl | 3.52 |
| 14 | 41849-35-8 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-hydroxy-ethyl | 4.66 |
| 15 | 26000-16-8 | 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate ethyl-H-methoxy-methoxy-a-H-H-methoxy-methoxy-H-H-H-ethyl | 3.3 |
| 16 | 77181-26-1 | methoxymethyl-acetoxyl-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-ethyl | 4.4 |
| 17 | 71402-60-3 | methoxymethyl-hydroxy-methoxy-methoxy-H-hydroxy-hydroxy-methoxy-benzoxy-H-hydroxy-H-trimethylethanaminium | 2.59 |
| 18 | 67806-02-4 | methoxymethyl-acetoxyl-methoxy-methoxy-H-acetoxyl-acetoxyl-methoxy-benzoxy-H-acetoxyl-H-ethyl | 1.9 |
| 19 | 85031-25-0 | methoxymethyl-acetoxyl-methoxy-methoxy-H-acetoxyl-acetoxyl-methoxy-acetoxyl-H-acetoxyl-H-ethyl | 1.17 |
| 20 | 71425-64-4 | methoxymethyl-hydroxy-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-trimethylethanaminium | 4.95 |
| 21* | 63238-67-5 | methoxymethyl-hydroxy-methoxy-methoxy-H-hydroxy-hydroxy-methoxy-benzoxy-H-hydroxy-H-methy | 2.68 |
| 22 | 71402-61-4 | methoxymethyl-hydroxy-methoxy-methoxy-H-hydroxy-hydroxy-methoxy-benzoxy-hydroxy-H-H-trimethylethanaminium | 2.62 |
| 23 | 38146-89-3 | methoxymethyl-hydroxy-methoxy-methoxy-H-hydroxy-H-methoxy-hydroxy-H-hydroxy-H-ethyl | 1.85 |
| 24 | 82144-73-8 | methoxymethyl-acetoxyl-methoxy-methoxy-H-acetoxyl-H-methoxy-benzoxy-H-hydroxy-H-ethyl | 0.84 |
| 25 | 82144-74-9 | methoxymethyl-acetoxyl-methoxy-methoxy-H-acetoxyl-H-methoxy-benzoxy-H-acetoxyl-H-ethyl | 2.66 |
| 26 | 38146-91-7 | methoxymethyl-acetoxyl-methoxy-methoxy-H-acetoxyl-H-methoxy-acetoxyl-H-acetoxyl-H-ethyl | 1.82 |
| 27* | 71402-59-0 | methoxymethyl-H-methoxy-methoxy-H-acetoxyl-hydroxy-methoxy-benzoxy-H-hydroxy-H-ethyl | 4.27 |
| 28 | 71402-62-5 | methoxymethyl-H-hydroxy-methoxy-H-hydroxy-hydroxy-methoxy-benzoxy-H-hydroxy-H-methy | 2.59 |
| 29 | 39089-30-0 | methy-H-hydroxy-H-H-hydroxy-H-methoxy-hydroxy-H-H-H-ethyl | 2.29 |
| 30 | 58111-33-4 | methoxymethyl-H-hydroxy-methoxy-hydroxy-hydroxy-H-methoxy-H-methoxy-H-H-trimethylethanaminium | 1.93 |
| 31* | 23943-93-3 | hydroxy-H-methoxy-hydroxy-H-hydroxy-H-methoxy-methoxy-H-H-H-ethyl | 1.85 |
| 32 | 32854-75-4 | 2-acetamidobenzoate ethyl-H-methoxy-H-H-hydroxy-H-methoxy-methoxy-hydroxy-H-H-ethyl | 3.16 |
| 33 | 138729-51-8 | 2-acetamidobenzoate ethyl-H-methoxy-H-H-acetoxyl-H-methoxy-methoxy-acetoxyl-H-H-ethyl | 2.84 |
* Test set compound.