BIAdb Isocorypalmine 2408
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2408 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2408 Link to BIAdb Database] | ||
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Current revision
| BIAdb Isocorypalmine 2408
| |
| Systematic (IUPAC) name | |
| (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H23NO4 |
| Mol. mass | 341.40092 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Hydrastis canadensis
[edit] Function
Smooth muscle relaxant
[edit] General Properties
*Molecular Weight
341.40092
*Exact Mass
341.162708
*Molecular Formula
C20H23NO4
*IUPAC NAME
(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
*Canonical Smiles
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
*Isomeric Smiles
COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
*XLogP
2.9
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
51.2
