Juzirine

Details

• Internal ID: 3bef5fb1-e7f6-4f38-940a-ed630ccaf42e
• Taxonomy: Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines
• IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
• SMILES (Canonical): COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)O)O
• SMILES (Isomeric): COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)O)O
• InChI: InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
• InChI Key: XUCRLUHFLBPVRO-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₅NO₃
• Molecular Weight: 281.30 g/mol
• Exact Mass: 281.10519334 g/mol
• Topological Polar Surface Area (TPSA): 62.60 Ų
• XlogP: 3.30

Synonyms

• 64069-53-0
• 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
• HYS6BR39QH
• 1-((4-Hydroxyphenyl)methyl)-6-methoxy-7-isoquinolinol
• 7-Isoquinolinol, 1-((4-hydroxyphenyl)methyl)-6-methoxy-
• Yuzirine
• UNII-HYS6BR39QH
• DTXSID20214263
• CHEBI:179577
• AKOS040752214
• 1-(4-hydroxybenzyl)-6-methoxyisoquinolin-7-ol
• 7-hydroxy-1-(4'-hydroxybenzyl)-6-methoxyisoquinoline
• 7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxyisoquinoline
• 1-((4-HYDROXYPHENYL)METHYL)-6-METHOXY-ISOQUINOLIN-7-OL

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
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	95.57%	95.50%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.49%	94.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	95.04%	93.10%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.38%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.54%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	93.44%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.19%	99.17%
CHEMBL2535	P11166	Glucose transporter	92.55%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.00%	86.33%
CHEMBL5747	Q92793	CREB-binding protein	91.39%	95.12%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.35%	99.15%
CHEMBL2581	P07339	Cathepsin D	88.22%	98.95%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.85%	92.94%
CHEMBL1255126	O15151	Protein Mdm4	85.54%	90.20%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.52%	94.45%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.29%	89.62%
CHEMBL4208	P20618	Proteasome component C5	83.75%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.21%	85.14%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	81.21%	95.78%
CHEMBL6175	Q9H3R0	Lysine-specific demethylase 4C	81.09%	96.69%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	80.42%	94.03%

Plants that contains it

• Xylopia parviflora
• Ziziphus jujuba var. spinosa

Cross-Links

• PubChem: 3085285
• LOTUS: LTS0072132
• wikiData: Q83090078