Adrenoglomerulotropin

Details

• Internal ID: 6110e139-5c1a-42dc-ba6e-bebf442806fd
• Taxonomy: Alkaloids and derivatives > Harmala alkaloids
• IUPAC Name: 6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• SMILES (Canonical): CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
• SMILES (Isomeric): CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
• InChI: InChI=1S/C13H16N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
• InChI Key: RDUORFDQRFHYBF-UHFFFAOYSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₆N₂O
• Molecular Weight: 216.28 g/mol
• Exact Mass: 216.126263138 g/mol
• Topological Polar Surface Area (TPSA): 37.00 Ų
• XlogP: 1.90

Synonyms

• 1210-56-6
• MMTC
• 6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• 1-Methyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline
• 6-Methoxytetrahydroharman
• 6-MEO-THH
• 1-Methyl-6-methoxy-1,2,3,4-tetrahydro-2-carboline
• CHEMBL221811
• U18P8J9O2I
• 6-Methoxy-1,2,3,4-tetrahydroharman
• 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-methyl-
• 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-6-methoxy-1-methyl-
• 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-1-methyl-
• BRN 0747865
• UNII-U18P8J9O2I
• Mmthc
• 6-Methoxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline
• ChemDiv1_000195
• Oprea1_020374
• Oprea1_696504
• 5-23-12-00070 (Beilstein Handbook Reference)
• SCHEMBL356345
• 6-METHOXYDIHYDROHARMALAN
• IFLab1_001355
• DIHYDRO-6-METHOXYHARMALAN
• HMS587I19
• ADRENOGLOMERULOTROPIN [MI]
• DTXSID20871835
• BDBM50194444
• AKOS004116723
• AKOS022506354
• CCG-103193
• IDI1_009222
• NCGC00163367-01
• EU-0066833
• J-004434
• Q4057960
• 1-Methyl-6-methoxy-1,2, 3,4-tetrahydro-2-carboline
• 1-Methyl-6-methoxy-1,2,3,4-tetrahydro-.beta.-carboline
• 6-Methoxy-1-methyl-1,2,3,4-tetrahydro-.beta.-carboline
• .beta.-Carboline, 1,2,3,4-tetrahydro-6-methoxy-1-methyl-
• 6-Methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline #
• 2,3,4,9-TETRAHYDRO-6-METHOXY-1-METHYL-1H-PYRIDO(3,4-B)INDOLE

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1833	P41595	Serotonin 2b (5-HT2b) receptor	491 nM	Ki	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.22%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.32%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.06%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.88%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	94.48%	92.94%
CHEMBL2535	P11166	Glucose transporter	91.62%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.58%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.82%	95.56%
CHEMBL5443	O00311	Cell division cycle 7-related protein kinase	87.39%	96.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.09%	95.89%
CHEMBL1907	P15144	Aminopeptidase N	86.70%	93.31%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.34%	93.99%
CHEMBL4208	P20618	Proteasome component C5	86.24%	90.00%
CHEMBL3438	Q05513	Protein kinase C zeta	85.12%	88.48%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.56%	94.00%
CHEMBL255	P29275	Adenosine A2b receptor	82.38%	98.59%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	81.18%	90.71%
CHEMBL4581	P52732	Kinesin-like protein 1	80.14%	93.18%

Plants that contains it

• Phyllodium pulchellum

Cross-Links

• PubChem: 71028
• LOTUS: LTS0056688
• wikiData: Q4057960