4-[2-(4-Hydroxy-3-methylphenyl)ethyl]-2,6-dimethoxyphenol

Details

Top
Internal ID 23c5192f-b741-49dd-97dc-5feac00a66ae
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 4-[2-(4-hydroxy-3-methylphenyl)ethyl]-2,6-dimethoxyphenol
SMILES (Canonical) CC1=C(C=CC(=C1)CCC2=CC(=C(C(=C2)OC)O)OC)O
SMILES (Isomeric) CC1=C(C=CC(=C1)CCC2=CC(=C(C(=C2)OC)O)OC)O
InChI InChI=1S/C17H20O4/c1-11-8-12(6-7-14(11)18)4-5-13-9-15(20-2)17(19)16(10-13)21-3/h6-10,18-19H,4-5H2,1-3H3
InChI Key INKAYXWJFUKHKS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H20O4
Molecular Weight 288.34 g/mol
Exact Mass 288.13615911 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4-[2-(4-Hydroxy-3-methylphenyl)ethyl]-2,6-dimethoxyphenol

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 96.88% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.50% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.07% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.92% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.72% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.08% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.89% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.97% 90.24%
CHEMBL4208 P20618 Proteasome component C5 84.81% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.96% 85.14%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.30% 92.62%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.27% 92.68%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 82.36% 95.17%
CHEMBL2535 P11166 Glucose transporter 82.32% 98.75%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 82.13% 95.70%
CHEMBL3401 O75469 Pregnane X receptor 81.92% 94.73%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 81.57% 86.92%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.28% 95.56%

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.
Dendrobium moniliforme

Cross-Links

Top
PubChem 162935727
LOTUS LTS0205995
wikiData Q105116252