Molecule

Koenimbine

AlkaPlorer ID: AK015738

Synonym: None

IUPAC Name: 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

Structure

SMILES: COC1=CC=C2NC3=C4C=CC(C)(C)OC4=C(C)C=C3C2=C1

InChI: InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3

InChIKey: OSERHKINMDLESD-UHFFFAOYSA-N

Reference

Antidiarrhoeal activity of carbazole alkaloids from Murraya koenigii Spreng (Rutaceae) seeds

PubChem CID: 97487

CAS: 21087-98-9

LOTUS: LTS0183223

COCONUT: CNP0248850

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Murraya koenigii	Murraya	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 293.36600000000004

TPSA？: 34.25

MolLogP？: 4.822320000000004

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agaricus bisporus	Tyrosinase	Inhibition	-1.0	%	10.1016/j.bmc.2013.01.012
Agaricus bisporus	Tyrosinase	Inhibition	-0.1	%	10.1016/j.bmc.2013.01.012
Agaricus bisporus	Tyrosinase	Inhibition	0.7	%	10.1016/j.bmc.2013.01.012
Agaricus bisporus	Tyrosinase	Inhibition	1.0	%	10.1016/j.bmc.2013.01.012
Agaricus bisporus	Tyrosinase	Inhibition	4.3	%	10.1016/j.bmc.2013.01.012
Homo sapiens	DU-145	IC50	200.0	nM	10.1016/j.ejmech.2021.113999
Homo sapiens	HCT-116	IC50	200.0	nM	10.1016/j.ejmech.2021.113999
Homo sapiens	HeLa	IC50	200.0	nM	10.1016/j.ejmech.2021.113999
Homo sapiens	HepG2	IC50	200.0	nM	10.1016/j.ejmech.2021.113999
Homo sapiens	OVCAR-3	IC50	200.0	nM	10.1016/j.ejmech.2021.113999
Homo sapiens	PA-1	IC50	200.0	nM	10.1016/j.ejmech.2021.113999
Homo sapiens	Pancreatic lipase	IC50	168600.0	nM	10.1016/j.bmc.2016.11.031
None	ADMET	Activity	37.9	%	10.1016/j.bmc.2013.01.012
None	ADMET	Activity	66.6	%	10.1016/j.bmc.2013.01.012
None	ADMET	Activity	92.4	%	10.1016/j.bmc.2013.01.012
None	ADMET	Activity	114.4	%	10.1016/j.bmc.2013.01.012
None	ADMET	AUC	2772.35	ng.hr.mL-1	10.1021/acs.jnatprod.5b00883
None	ADMET	Cmax	1810.0	nM	10.1021/acs.jnatprod.5b00883
None	ADMET	K	0.005	/min	10.1021/acs.jnatprod.5b00883
None	ADMET	Stability	58.0	%	10.1021/acs.jnatprod.5b00883
None	ADMET	T1/2	2.205	hr	10.1021/acs.jnatprod.5b00883
None	ADMET	Tmax	0.83	hr	10.1021/acs.jnatprod.5b00883
None	Molecular identity unknown	Activity	nan	None	10.1021/acs.jnatprod.5b00883
None	Molecular identity unknown	FC	1.41	None	10.1021/acs.jnatprod.5b00883
None	Molecular identity unknown	FC	1.44	None	10.1021/acs.jnatprod.5b00883
None	Molecular identity unknown	FC	2.54	None	10.1021/acs.jnatprod.5b00883
None	NON-PROTEIN TARGET	Inhibition	15.5	%	10.1021/acs.jnatprod.5b00883
None	NON-PROTEIN TARGET	Inhibition	19.8	%	10.1021/acs.jnatprod.5b00883
None	Unchecked	IC50	1200.0	nM	10.1016/j.bmc.2013.01.012
None	Unchecked	Inhibition	42.5	%	10.1016/j.bmc.2013.01.012
None	Unchecked	Inhibition	77.0	%	10.1016/j.bmc.2013.01.012
None	Unchecked	Inhibition	86.2	%	10.1016/j.bmc.2013.01.012