Latifine

Details

• Internal ID: 3fb2b2b5-9e4d-466d-995d-9f72c7e5230f
• Taxonomy: Organoheterocyclic compounds > Tetrahydroisoquinolines > 4-phenyltetrahydroisoquinolines
• IUPAC Name: (4S)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
• SMILES (Canonical): CN1CC(C2=C(C1)C=CC(=C2O)OC)C3=CC=C(C=C3)O
• SMILES (Isomeric): CN1C[C@H](C2=C(C1)C=CC(=C2O)OC)C3=CC=C(C=C3)O
• InChI: InChI=1S/C17H19NO3/c1-18-9-12-5-8-15(21-2)17(20)16(12)14(10-18)11-3-6-13(19)7-4-11/h3-8,14,19-20H,9-10H2,1-2H3/t14-/m0/s1
• InChI Key: YKBSLDJRMFMWHQ-AWEZNQCLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₉NO₃
• Molecular Weight: 285.34 g/mol
• Exact Mass: 285.13649347 g/mol
• Topological Polar Surface Area (TPSA): 52.90 Ų
• XlogP: 2.50

Synonyms

• (4S)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.63%	96.09%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	93.89%	91.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.61%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.41%	95.89%
CHEMBL3192	Q9BY41	Histone deacetylase 8	90.62%	93.99%
CHEMBL4208	P20618	Proteasome component C5	89.05%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.05%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	88.05%	89.62%
CHEMBL301	P24941	Cyclin-dependent kinase 2	87.90%	91.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.76%	95.56%
CHEMBL3438	Q05513	Protein kinase C zeta	87.32%	88.48%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.53%	91.11%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.34%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.66%	94.00%
CHEMBL2581	P07339	Cathepsin D	84.90%	98.95%
CHEMBL2056	P21728	Dopamine D1 receptor	84.60%	91.00%
CHEMBL217	P14416	Dopamine D2 receptor	82.64%	95.62%
CHEMBL1951	P21397	Monoamine oxidase A	81.19%	91.49%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	81.17%	96.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.80%	86.33%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.38%	91.03%

Plants that contains it

• Crinum latifolium

Cross-Links

• PubChem: 11196899
• LOTUS: LTS0092806
• wikiData: Q105349585