BIAdb Bicuculline 1527
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1527 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1527 Link to BIAdb Database] | ||
+ | [[Category:BIAdb]] |
Current revision
BIAdb Bicuculline 1527
| |
Systematic (IUPAC) name | |
(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C20H17NO6 |
Mol. mass | 367.35208 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
? |
Legal status | |
Routes | ? |
Contents |
[edit] Description
[edit] Source
Corydalis majori
[edit] Function
GABA-A antagonist
[edit] General Properties
*Molecular Weight
367.35208
*Exact Mass
367.105587
*Molecular Formula
C20H17NO6
*IUPAC NAME
(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
*Isomeric Smiles
CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
*XLogP
2.6
*Hydrogen bond donor
0
*Hydrogen bond acceptor
7
*Rotational Bond Count
1
*Topological Polar Surface Area
66.5