Anhalonidine

Details

• Internal ID: 3d1bdd32-3d28-47f8-8e76-865f37d66c8c
• Taxonomy: Organoheterocyclic compounds > Tetrahydroisoquinolines
• IUPAC Name: 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
• SMILES (Canonical): CC1C2=C(C(=C(C=C2CCN1)OC)OC)O
• SMILES (Isomeric): CC1C2=C(C(=C(C=C2CCN1)OC)OC)O
• InChI: InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3
• InChI Key: PRNZAMQMBOFSJY-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.27 g/mol
• Exact Mass: 223.12084340 g/mol
• Topological Polar Surface Area (TPSA): 50.70 Ų
• XlogP: 1.30

Synonyms

• 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
• SCHEMBL675745
• CHEBI:80669
• DTXSID40871973
• PRNZAMQMBOFSJY-UHFFFAOYSA-N
• Q15410279

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.51%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.57%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	93.89%	92.94%
CHEMBL213	P08588	Beta-1 adrenergic receptor	92.72%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.19%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.39%	95.89%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.20%	93.99%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.89%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.88%	86.33%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	85.62%	91.03%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.15%	99.17%
CHEMBL2535	P11166	Glucose transporter	84.10%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.00%	94.45%
CHEMBL4208	P20618	Proteasome component C5	81.90%	90.00%
CHEMBL2056	P21728	Dopamine D1 receptor	81.47%	91.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	80.46%	92.68%
CHEMBL217	P14416	Dopamine D2 receptor	80.46%	95.62%
CHEMBL3438	Q05513	Protein kinase C zeta	80.39%	88.48%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.10%	95.89%

Plants that contains it

• Gymnocalycium bodenbenderianum
• Gymnocalycium monvillei
• Lophophora diffusa
• Lophophora williamsii
• Pachycereus weberi
• Turbinicarpus pseudopectinatus
• Vachellia rigidula

Cross-Links

• PubChem: 199214
• LOTUS: LTS0273488
• wikiData: Q15410279