mitragynine
(LELBFTMXCIIKKX-QVRQZEMUSA-N)
Structure
- SMILES
- CO/C=C(\[C@H]1C[C@@H]2N(C[C@H]1CC)CCc1c2[nH]c2c1c(OC)ccc2)/C(=O)OC
- Molecular Formula:
- C23H30N2O4
- Molecular Weight:
- 398.495
- Log P:
- 3.7630
- Hydrogen Bond Acceptor:
- 5
- Hydrogen Bond Donor:
- 1
- TPSA:
- 63.79
- CAS Number(s):
- 4098-40-2; 6202-22-8
Synonym(s)
1.
mitragynine
2.
16,17-didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl ester
3.
SK&F 12711
4.
SK&F-12711
5.
SKF 12711
6.
kratom alkaloids
7.
mitragynine ethanedisulfonate
8.
mitragynine monohydrochloride
9.
mitragynine, (16E)-isomer
10.
mitragynine, (3beta,16E)-isomer
11.
mitragynine, (3beta,16E,20beta)-isomer
External Link(s)
| MeSH | C001801 |
| PubChem Compound | 3034396 |
| ChEBI | 6956 |
| CHEMBL | CHEMBL299031 |
| KEGG | cpd:C09226 |
| ZINC | 13473305 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Hepatomegaly | 23422336 | CTD | |
| 2 | Opioid-Related Disorders | 23292329 | CTD | |
| 3 | Pain | 26688378 27192616 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120263
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.