4-[2-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yloxy]prop-1-enyl]-2-methoxyphenol

Details

Top
Internal ID 78904a8b-6017-49b1-b093-c5f0dcab636f
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 4-[2-[1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yloxy]prop-1-enyl]-2-methoxyphenol
SMILES (Canonical) CC(=CC1=CC(=C(C=C1)O)OC)OC(=CC2=CC(=C(C=C2)O)OC)C
SMILES (Isomeric) CC(=CC1=CC(=C(C=C1)O)OC)OC(=CC2=CC(=C(C=C2)O)OC)C
InChI InChI=1S/C20H22O5/c1-13(9-15-5-7-17(21)19(11-15)23-3)25-14(2)10-16-6-8-18(22)20(12-16)24-4/h5-12,21-22H,1-4H3
InChI Key YSFQCTIEWTYEKD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H22O5
Molecular Weight 342.40 g/mol
Exact Mass 342.14672380 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 4.30

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4-[2-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yloxy]prop-1-enyl]-2-methoxyphenol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.73% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 94.08% 91.49%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 92.21% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.14% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.10% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.22% 96.09%
CHEMBL3194 P02766 Transthyretin 86.65% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.51% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.25% 96.00%
CHEMBL4208 P20618 Proteasome component C5 84.57% 90.00%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 84.30% 98.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.97% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.84% 99.17%
CHEMBL2535 P11166 Glucose transporter 81.37% 98.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.22% 92.94%

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.
Leucosyke quadrinervia

Cross-Links

Top
PubChem 162956058
LOTUS LTS0061939
wikiData Q105359586