6,7-Dimethoxy-3,4-dihydroisoquinolin-8-ol

Details

• Internal ID: f28aaf46-634c-4d70-b66a-5abda390685c
• Taxonomy: Organoheterocyclic compounds > Dihydroisoquinolines
• IUPAC Name: 6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
• SMILES (Canonical): COC1=C(C(=C2C=NCCC2=C1)O)OC
• SMILES (Isomeric): COC1=C(C(=C2C=NCCC2=C1)O)OC
• InChI: InChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5-6,13H,3-4H2,1-2H3
• InChI Key: DENICYLUHIGMFN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.23 g/mol
• Exact Mass: 207.08954328 g/mol
• Topological Polar Surface Area (TPSA): 51.00 Ų
• XlogP: 0.90

Synonyms

There are no found synonyms.

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	96.85%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.11%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.83%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.51%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.87%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.14%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.78%	94.45%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	82.47%	92.68%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.33%	93.99%
CHEMBL4208	P20618	Proteasome component C5	80.08%	90.00%

Plants that contains it

• Lophophora williamsii

Cross-Links

• PubChem: 135817517
• LOTUS: LTS0202677
• wikiData: Q104977391