2-(3'-Hydroxy,4'-methoxyphenylethyl)-4-methoxyquinoline

Details

Top
Internal ID 4a07ebe4-f189-4ae7-9557-c071ca9f832a
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives
IUPAC Name 2-methoxy-5-[2-(4-methoxyquinolin-2-yl)ethyl]phenol
SMILES (Canonical) COC1=C(C=C(C=C1)CCC2=NC3=CC=CC=C3C(=C2)OC)O
SMILES (Isomeric) COC1=C(C=C(C=C1)CCC2=NC3=CC=CC=C3C(=C2)OC)O
InChI InChI=1S/C19H19NO3/c1-22-18-10-8-13(11-17(18)21)7-9-14-12-19(23-2)15-5-3-4-6-16(15)20-14/h3-6,8,10-12,21H,7,9H2,1-2H3
InChI Key UIVNIUPIHQVAQN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H19NO3
Molecular Weight 309.40 g/mol
Exact Mass 309.13649347 g/mol
Topological Polar Surface Area (TPSA) 51.60 Ų
XlogP 4.30

Synonyms

Top
2-(3'-hydroxy,4'-methoxyphenylethyl)-4-methoxyquinoline

2D Structure

Top
2D Structure of 2-(3'-Hydroxy,4'-methoxyphenylethyl)-4-methoxyquinoline

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.12% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 95.98% 90.20%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.19% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.97% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.61% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.74% 94.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.87% 95.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.58% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.58% 85.14%
CHEMBL2535 P11166 Glucose transporter 90.20% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.68% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.95% 92.62%
CHEMBL1951 P21397 Monoamine oxidase A 84.87% 91.49%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.20% 96.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.48% 99.15%
CHEMBL5805 Q9NR97 Toll-like receptor 8 82.63% 96.25%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.91% 92.67%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.73% 94.03%
CHEMBL1741221 Q9Y4P1 Cysteine protease ATG4B 80.53% 87.50%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Angostura trifoliata

Cross-Links

Top
PubChem 91749528
LOTUS LTS0216797
wikiData Q105273626