BIAdb Jatrorrhizine 2482
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2482 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2482 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Jatrorrhizine 2482
| |
| Systematic (IUPAC) name | |
| 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H20NO4+ |
| Mol. mass | 338.3771 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Glaucium arabicum
[edit] Function
Antifungal
[edit] General Properties
*Molecular Weight
338.3771
*Exact Mass
338.139233
*Molecular Formula
C20H20NO4+
*IUPAC NAME
2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
*Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
*Isomeric Smiles
N/A
*XLogP
3.4
*Hydrogen bond donor
1
*Hydrogen bond acceptor
4
*Rotational Bond Count
3
*Topological Polar Surface Area
51.8
