Navigation

name Structure Reference Source Properties Activities Metabolism

Hydrastine

AlkaPlorer ID: AK006246

Synonym: '', 'alpha-Hydrastine', 'beta-Hydrastine', '6,7-Dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro-1,3dioxolo4,5-gisoquinolin-5-yl)-3H-isobenzofuran-1-one', 'SMR000518978', '(-)-alpha-hydrastine', 'MLSMR', '(-)-alpha-Hydrastine', '(3S)-6,7-dimethoxy-3-(5R)-6-methyl-7,8-dihydro-5H-1,3dioxolo4,5-gisoquinolin-5-yl-3H-2-benzofuran-1-one', 'MLS001210424'

IUPAC Name: (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

Structure

SMILES: COC1=CC=C2C(=C1OC)C(=O)O[C@H]2[C@H]1C2=CC3=C(C=C2CCN1C)OCO3

copy

InChI: InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m1/s1

copy

InChIKey: JZUTXVTYJDCMDU-RTBURBONSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Imperata cylindrica Imperata Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 383.4000000000002

TPSA？: 66.46000000000001

MolLogP？: 2.873200000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Ataxin-2 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 1A2 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 1258.93 nM None
Homo sapiens Cytochrome P450 2C19 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 2C19 Potency 79.4 nM None
Homo sapiens Cytochrome P450 2C19 Potency 1258.9 nM None
Homo sapiens Cytochrome P450 2C19 Potency 7943.3 nM None
Homo sapiens Cytochrome P450 2C9 AC50 1.585 nM None
Homo sapiens Cytochrome P450 2C9 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 2C9 Potency 1.6 nM None
Homo sapiens Cytochrome P450 2C9 Potency 3981.1 nM None
Homo sapiens Cytochrome P450 2C9 Potency 15848.9 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 1995.26 nM None
Homo sapiens Cytochrome P450 3A4 AC50 5011.87 nM None
Homo sapiens Cytochrome P450 3A4 Potency 1995.3 nM None
Homo sapiens Cytochrome P450 3A4 Potency 5011.9 nM None
Homo sapiens Glucocorticoid receptor FC 63.0 None 10.1016/j.bmc.2008.02.045
Homo sapiens Histone acetyltransferase GCN5 Potency 15848.9 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 94.94 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 84.49 % 10.1124/mol.112.084152
Homo sapiens Thrombopoietin Potency 6309.6 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 12589.3 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 15848.9 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 25118.9 nM None
None Unchecked Potency 7943.3 nM None

Metabolism Information