BIAdb Papaveroline 2913
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2913 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2913 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Papaveroline 2913
| |
| Systematic (IUPAC) name | |
| 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C16H13NO4 |
| Mol. mass | 283.27872 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Neurotoxin
[edit] General Properties
*Molecular Weight
283.27872
*Exact Mass
283.084458
*Molecular Formula
C16H13NO4
*IUPAC NAME
1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one
*Canonical Smiles
C1=CC(=C(C=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O
*Isomeric Smiles
N/A
*XLogP
1.6
*Hydrogen bond donor
4
*Hydrogen bond acceptor
5
*Rotational Bond Count
2
*Topological Polar Surface Area
89.8
