Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H43NO10 |
| Molecular Weight | 589.6738 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@]3(O)[C@H](OC(=O)C4=CC=CC=C4)[C@]1([H])[C@@](O)([C@@H]5[C@H](OC)[C@@]6([H])[C@]27C5N(C)C[C@]6(COC)[C@H](O)C[C@@H]7OC)[C@@H](O)[C@@H]3OC
InChI
InChIKey=PULWZCUZNRVAHT-PUAFOYDXSA-N
InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
| Molecular Formula | C31H43NO10 |
| Molecular Weight | 589.6738 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 13 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/7997462 | https://www.ncbi.nlm.nih.gov/pubmed/8282271 | https://www.ncbi.nlm.nih.gov/pubmed/9682963 | https://www.ncbi.nlm.nih.gov/pubmed/9682964 | |https://www.ncbi.nlm.nih.gov/pubmed/12543043
Curator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/7997462 | https://www.ncbi.nlm.nih.gov/pubmed/8282271 | https://www.ncbi.nlm.nih.gov/pubmed/9682963 | https://www.ncbi.nlm.nih.gov/pubmed/9682964 | |https://www.ncbi.nlm.nih.gov/pubmed/12543043
Benzoylmesaconine (BMA) is the main Aconitum alkaloid in Radix Aconiti Lateralis Preparata. Notably, the high levels of toxicity of Radix Aconiti are derived from diester aconitum alkaloids, including aconitine, mesaconitine and hypaconitine, which can be hydrolyzed to benzoylaconine, benzoylmesaconine and benzoylhypaconine, respectively. Benzoylmesaconine exhibits biological effects, including analgesic, antiviral and antifungal activities.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| [Analgesic effect of benzoylmesaconine]. | 1993 Dec |
|
| Antinociceptive mechanism of the aconitine alkaloids mesaconitine and benzoylmesaconine. | 1994 Oct |
|
| The regulation of burn-associated infections with herpes simplex virus type 1 or Candida albicans by a non-toxic aconitine-hydrolysate, benzoylmesaconine. Part 1: Antiviral and anti-fungal activities in thermally injured mice. | 1998 Jun |
|
| Therapeutic effects of IL-12 combined with benzoylmesaconine, a non-toxic aconitine-hydrolysate, against herpes simplex virus type 1 infection in mice following thermal injury. | 2003 Feb |
|
| Monoester-Diterpene Aconitum Alkaloid Metabolism in Human Liver Microsomes: Predominant Role of CYP3A4 and CYP3A5. | 2013 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 20:37:06 GMT 2023
by
admin
on
Fri Dec 15 20:37:06 GMT 2023
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| Record UNII |
PXJ8W3681R
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| Record Status |
Validated (UNII)
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| Record Version |
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