Allocryptopine
From DrugPedia: A Wikipedia for Drug discovery
m |
(→External Links) |
||
| (6 intermediate revisions not shown.) | |||
| Line 7: | Line 7: | ||
| IUPAC_name =N/A | | IUPAC_name =N/A | ||
| PubChem = 98570 | | PubChem = 98570 | ||
| + | | CAS no. = 485-91-6 | ||
| DrugBank = | | DrugBank = | ||
| ChemSpiderID = | | ChemSpiderID = | ||
| Line 14: | Line 15: | ||
| synonyms = | | synonyms = | ||
| density = | | density = | ||
| - | | melting_point = | + | | melting_point = 160.5 |
| boiling_point = | | boiling_point = | ||
| solubility = | | solubility = | ||
| Line 24: | Line 25: | ||
==Description== | ==Description== | ||
| - | induces muscle contraction and relaxation in urinary bladder and ileum, respectively | + | Allocryptopine has been isolated from opium in approximatety 0.01 per cent yietd as the -form. The alkaloid has been identified by NMR and mass spectrometry and by comparison of its infrared spectrum with that of its allotropic modification, -allocryptopine.it induces muscle contraction and relaxation in urinary bladder and ileum, respectively.Crystals of α- and β-allocryptopine were studied by X-ray diffraction analysis and have been found to be crystal modifications of allocryptopine. |
| + | ==Synthesis== | ||
| + | (S)-n-methylcanadine + NADPH + O2 = allocryptopine + NADP<sup>+</sup> + H2O | ||
==General Properties== | ==General Properties== | ||
| Line 55: | Line 58: | ||
57.2 | 57.2 | ||
| + | <b>IC50</b> | ||
| + | |||
| + | 37 ± 8 µM | ||
| + | |||
| + | ==Function== | ||
| + | oxytocic agent | ||
==External Links== | ==External Links== | ||
| Line 60: | Line 69: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2143 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2143 Link to BIAdb Database] | ||
| + | |||
| + | [[category : alkaloids]] | ||
| + | [[Category:BIAdb_old]] | ||
Current revision
| Allocryptopine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H23NO5 |
| Mol. mass | 369.41102 |
| SMILES | & |
| Physical data | |
| Melt. point | 160.5 °C |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
Allocryptopine has been isolated from opium in approximatety 0.01 per cent yietd as the -form. The alkaloid has been identified by NMR and mass spectrometry and by comparison of its infrared spectrum with that of its allotropic modification, -allocryptopine.it induces muscle contraction and relaxation in urinary bladder and ileum, respectively.Crystals of α- and β-allocryptopine were studied by X-ray diffraction analysis and have been found to be crystal modifications of allocryptopine.
[edit] Synthesis
(S)-n-methylcanadine + NADPH + O2 = allocryptopine + NADP+ + H2O
[edit] General Properties
*Molecular Weight
369.41102
*Molecular Formula
C21H23NO5
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
*Isomeric Smiles
N/A
*XLogP
2.3
*Topological Polar Surface Area
57.2
IC50
37 ± 8 µM
[edit] Function
oxytocic agent
