BIAdb Rugosinone 3112
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3112 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3112 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Rugosinone 3112
| |
| Systematic (IUPAC) name | |
| [1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H15NO6 |
| Mol. mass | 353.3255 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Thalictrum rugosum
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
353.3255
*Exact Mass
353.089937
*Molecular Formula
C19H15NO6
*IUPAC NAME
[1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone
*Canonical Smiles
COC1=C(C(=C(C=C1)C(=O)C2=NC=CC3=CC4=C(C=C32)OCO4)O)OC
*Isomeric Smiles
N/A
*XLogP
3.7
*Hydrogen bond donor
1
*Hydrogen bond acceptor
7
*Rotational Bond Count
4
*Topological Polar Surface Area
87.1
