Molecule

Hydrohydrastinine

AlkaPlorer ID: AK010944

Synonym: 5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline, 1,2,3,4-Tetrahydro-2-methyl-6,7-methylenedioxyisoquinoline

IUPAC Name: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Structure

SMILES: CN1CCC2=CC3=C(C=C2C1)OCO3

InChI: InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3

InChIKey: XNZFFRJWTVYMBF-UHFFFAOYSA-N

Reference

Alkaloids of Cryptocarya phyllostemon

PubChem CID: 22301

CAS: 5985-05-7

SuperNatural Ⅲ: SN0435382

NPASS: NPC7018

COCONUT: CNP0203305.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dovyalis hebecarpa	Dovyalis	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ixeris repens	Ixeris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eremophila oppositifolia	Eremophila	Scrophulariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taxillus yadoriki	Taxillus	Loranthaceae	Santalales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis mucronifera	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tylopilus plumbeoviolaceus	Tylopilus	Boletaceae	Boletales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Corydalis cava	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium vulpinum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Corydalis tomentella	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 191.23

TPSA？: 21.700000000000003

MolLogP？: 1.4032

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	-14.77	%	10.6019/CHEMBL4296182
Candida albicans	Candida albicans	Inhibition	1.35	%	10.6019/CHEMBL4296182
Cryptococcus neoformans	Cryptococcus neoformans	Inhibition	-8.47	%	10.6019/CHEMBL4296182
Escherichia coli	Escherichia coli	Inhibition	11.12	%	10.6019/CHEMBL4296182
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	1000.0	nM	None
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	EC50	100000.0	nM	10.1021/acs.jmedchem.7b01895
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	IC50	100000.0	nM	10.1021/acs.jmedchem.7b01895
Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	3.04	%	10.6019/CHEMBL4296182
Mus musculus	Nicotinic acetylcholine receptor alpha-4/beta-2	IC50	2600.0	nM	10.1021/acs.jmedchem.7b01895
Mus musculus	Nicotinic acetylcholine receptor alpha-4/beta-2	IC50	2600.0	nM	10.1021/jm4013592
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	14.65	%	10.6019/CHEMBL4296182
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	IC50	300000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	IC50	300000.0	nM	10.1021/jm4013592
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	Ki	300000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	Ki	300000.0	nM	10.1021/jm4013592
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Inhibition	nan	%	10.1021/jm4013592
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Ki	1700.0	nM	10.1021/jm4013592
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Ki	17000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta4	Ki	50000.0	nM	10.1021/acs.jmedchem.7b01895
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta4	Ki	50000.0	nM	10.1021/jm4013592
Staphylococcus aureus	Staphylococcus aureus	Inhibition	-5.07	%	10.6019/CHEMBL4296182
None	Unchecked	Ki	500000.0	nM	10.1021/jm4013592