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bicuculline

AlkaPlorer ID: AK000846

Synonym: 'Bicucullin; Bicuculline', '(+)-Bicuculline', 'Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-,(R,R)-', 'Capnoidine', '(-)-Adlumidine', '(+)-Adlumidine', 'l-Capnoidine', 'BIC\nBicculine\nBICUCULLINE\nd-Bicuculline\n(+)-Bicuculline\nWLN: T C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ\nFuro3,4-e-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo4,5-gisoquinolin-5-yl)-, R-(R*,S*)-\nBicuculline', 'l-Adlumidine', 'Bicucullin', 'Bucuculline', 'capnoidine', 'Adlumidine', '(-)-Capnoidine', 'Bicculine', 'd-Bicuculline', 'Bicuculline'

IUPAC Name: (6R)-6-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

Structure

SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]1OC(=O)C2=C4OCOC4=CC=C21)OCO3

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InChI: InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m1/s1

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InChIKey: IYGYMKDQCDOMRE-QZTJIDSGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Corydalis cava Corydalis Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 367.3570000000001

TPSA？: 66.46000000000001

MolLogP？: 2.5847000000000007

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 31622.8 nM None
Homo sapiens Cytochrome P450 1A2 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 2C19 AC50 50.12 nM None
Homo sapiens Cytochrome P450 2C19 Potency 50.1 nM None
Homo sapiens Cytochrome P450 2C19 Potency 398.1 nM None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 Potency 39810.7 nM None
Homo sapiens Cytochrome P450 2D6 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 2D6 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 3A4 AC50 794.33 nM None
Homo sapiens Cytochrome P450 3A4 Potency 794.3 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 2511.9 nM None
Homo sapiens Prelamin-A/C Potency 281.8 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 5011.9 nM None

Metabolism Information