Antioquine
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
| - | structure given in first source; bisbenzylisoquinoline alkaloid isolated from Pseudoxandra sclerocarpa | + | structure given in first source; bisbenzylisoquinoline alkaloid isolated from Pseudoxandra sclerocarpa, |
| + | smooth muscle relaxing properties. | ||
==General Properties== | ==General Properties== | ||
| Line 60: | Line 61: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1103 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1103 Link to BIAdb Database] | ||
| + | [[Category:BIAdb_old]] | ||
Current revision
| Antioquine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C37H40N2O6 |
| Mol. mass | 608.7233 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
structure given in first source; bisbenzylisoquinoline alkaloid isolated from Pseudoxandra sclerocarpa, smooth muscle relaxing properties.
[edit] General Properties
*Molecular Weight
608.7233
*Molecular Formula
C37H40N2O6
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
*Isomeric Smiles
CN1CCC2=CC3=C(C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
*XLogP
5.5
*Topological Polar Surface Area
83.9
