Molecule

1,2,3,4-Tetrahydro-2-methyl-β-carboline

AlkaPlorer ID: AK022910

Synonym: 2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole

IUPAC Name: 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Structure

SMILES: CN1CCC2=C(C1)NC1=C2C=CC=C1

InChI: InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3

InChIKey: JOFKCNJIUXPJAC-UHFFFAOYSA-N

Reference

Oxindoles from Phalaris coerulescens

PubChem CID: 121896

CAS: 13100-00-0

LOTUS: LTS0032864

NPASS: NPC198988

COCONUT: CNP0451819

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Anadenanthera peregrina	Anadenanthera	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Elaeagnus angustifolia	Elaeagnus	Elaeagnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Arthrophytum	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sanguisorba officinalis	Sanguisorba	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia santolina	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Flueggea	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phalaris aquatica	Phalaris	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phyllocladus aspleniifolius	Phyllocladus	Podocarpaceae	Araucariales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
None	Acacia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gymnacranthera paniculata	Gymnacranthera	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Hammada	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Virola sebifera	Virola	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Banisteriopsis	Malpighiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Psychotria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Virola	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	None	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stegobium paniceum	Stegobium	Ptinidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Testulea gabonensis	Testulea	Ochnaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	None	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cyathobasis fruticulosa	Cyathobasis	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Psychotria viridis	Psychotria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phalaris arundinacea	Phalaris	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Flueggea	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 186.258

TPSA？: 19.03

MolLogP？: 2.1558

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Monoamine oxidase B	Ki	400000.0	nM	10.1021/jm00122a031
Bos taurus	Monoamine oxidase B	Rate of oxidation	0.1	nM min-1 ml-1	10.1021/jm00122a031
Homo sapiens	786-0	GI50	100000.0	nM	None
Homo sapiens	A2780	Activity	38.0	%	10.1021/np0580006
Homo sapiens	A549	GI50	100000.0	nM	None
Homo sapiens	ACHN	GI50	100000.0	nM	None
Homo sapiens	Beta-glucocerebrosidase	Potency	39810.7	nM	None
Homo sapiens	BT-549	GI50	100000.0	nM	None
Homo sapiens	CAKI-1	GI50	100000.0	nM	None
Homo sapiens	CCRF-CEM	GI50	100000.0	nM	None
Homo sapiens	Chromobox protein homolog 1	Potency	100000.0	nM	None
Homo sapiens	COLO 205	GI50	100000.0	nM	None
Homo sapiens	DU-145	GI50	100000.0	nM	None
Homo sapiens	EKVX	GI50	100000.0	nM	None
Homo sapiens	Geminin	Potency	819.9	nM	None
Homo sapiens	HCC 2998	GI50	100000.0	nM	None
Homo sapiens	HCT-116	GI50	100000.0	nM	None
Homo sapiens	HCT-15	GI50	100000.0	nM	None
Homo sapiens	HL-60	GI50	100000.0	nM	None
Homo sapiens	HOP-62	GI50	100000.0	nM	None
Homo sapiens	Hs-578T	GI50	100000.0	nM	None
Homo sapiens	HT-29	GI50	100000.0	nM	None
Homo sapiens	IGROV-1	GI50	100000.0	nM	None
Homo sapiens	K562	GI50	100000.0	nM	None
Homo sapiens	KM12	GI50	100000.0	nM	None
Homo sapiens	LOX IMVI	GI50	100000.0	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	39810.7	nM	None
Homo sapiens	M14	GI50	100000.0	nM	None
Homo sapiens	Malme-3M	GI50	29376.5	nM	None
Homo sapiens	MCF7	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-231	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-435	GI50	100000.0	nM	None
Homo sapiens	MDA-N	GI50	100000.0	nM	None
Homo sapiens	MOLT-4	GI50	100000.0	nM	None
Homo sapiens	Monoamine oxidase	Relative activity	2.0	None	10.1021/jm00072a012
Homo sapiens	NCI/ADR-RES	GI50	100000.0	nM	None
Homo sapiens	NCI-H226	GI50	100000.0	nM	None
Homo sapiens	NCI-H23	GI50	100000.0	nM	None
Homo sapiens	NCI-H322M	GI50	100000.0	nM	None
Homo sapiens	NCI-H460	GI50	100000.0	nM	None
Homo sapiens	NCI-H522	GI50	100000.0	nM	None
Homo sapiens	OVCAR-3	GI50	100000.0	nM	None
Homo sapiens	OVCAR-4	GI50	100000.0	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	100000.0	nM	None
Homo sapiens	PC-3	GI50	100000.0	nM	None
Homo sapiens	RPMI-8226	GI50	100000.0	nM	None
Homo sapiens	RXF 393	GI50	100000.0	nM	None
Homo sapiens	SF-268	GI50	100000.0	nM	None
Homo sapiens	SF-295	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-2	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-28	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-5	GI50	100000.0	nM	None
Homo sapiens	SK-OV-3	GI50	100000.0	nM	None
Homo sapiens	SN12C	GI50	100000.0	nM	None
Homo sapiens	SNB-19	GI50	100000.0	nM	None
Homo sapiens	SNB-75	GI50	19678.86	nM	None
Homo sapiens	SR	GI50	100000.0	nM	None
Homo sapiens	SW-620	GI50	100000.0	nM	None
Homo sapiens	T47D	GI50	100000.0	nM	None
Homo sapiens	TK-10	GI50	100000.0	nM	None
Homo sapiens	U-251	GI50	100000.0	nM	None
Homo sapiens	UACC-257	GI50	100000.0	nM	None
Homo sapiens	UACC-62	GI50	100000.0	nM	None
Homo sapiens	UO-31	GI50	100000.0	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	13115.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	18526.0	nM	None
Rattus norvegicus	Dopamine transporter	DA release	1.8	%	10.1021/jm00170a029
Rattus norvegicus	Dopamine transporter	DA release	19.0	%	10.1021/jm00170a029