BIAdb Bicuculline 1527

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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]
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[[Category:BIAdb]]

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Show 3-D Structure

Show 2-D Structure

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 10237
Chemical data
Formula C20H17NO6
Mol. mass 367.35208
SMILES eMolecules & PubChem
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

[edit] External Links

Link to BIAdb Database