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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
29
Total Number of Articles : 25
|
| PubChem |
3034396
|
| Molecular Formula |
C23H30N2O4 |
| SMILES |
CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC |
| InChI |
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1 |
| synonyms |
- MITRAGYNINE
- 4098-40-2
- (-)-Mitragynine
- Skf 12711
- CHEBI:6956
- 9-Methoxycorynantheidine
- MITRAGYNINE PICRATE
- CHEMBL299031
- EP479K822J
- (E)-Methyl 2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyacrylate
- Mitragynine (100?g/mL in Methanol)
- SK&F 12711
- Mitragynin
- UNII-EP479K822J
- HSDB 7901
- Mitragynine [MI]
- Mitragynine - 95%
- MITRAGYNINE [WHO-DD]
- SCHEMBL875799
- SCHEMBL875800
- GTPL13149
- Mitragynine, 1mg/ml in Methanol
- LELBFTMXCIIKKX-QVRQZEMUSA-N
- DTXSID701032140
- GLXC-02988
- Mitragynine, 0.1mg/ml in Methanol
- BDBM50474152
- Mitragynine 100 microg/mL in Methanol
- 16,17-Didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl ester
- 1ST40382
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|
| Properties |
| Property |
Value |
| MW |
398.5 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
6 |
| Exact Mass |
398.22055744 g/mol |
| Monoisotopic Mass |
398.22055744 g/mol |
| Heavy Atom Count |
29 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
624 |
| xlogp |
3.4 |
| Topological Polar Surface Area |
63.8 |
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