2-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-6-methoxyphenol

Details

Top
Internal ID 3911da94-21a9-4300-9311-22e301c695bf
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-methoxyphenol
SMILES (Canonical) COC1=CC=C(C=C1)C(CC2=C(C(=CC=C2)OC)O)O
SMILES (Isomeric) COC1=CC=C(C=C1)C(CC2=C(C(=CC=C2)OC)O)O
InChI InChI=1S/C16H18O4/c1-19-13-8-6-11(7-9-13)14(17)10-12-4-3-5-15(20-2)16(12)18/h3-9,14,17-18H,10H2,1-2H3
InChI Key ZWMBMAHFTDLBAW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H18O4
Molecular Weight 274.31 g/mol
Exact Mass 274.12050905 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 2.60

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-6-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 97.71% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.48% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.03% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.61% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.90% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 90.63% 93.31%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.55% 99.15%
CHEMBL2535 P11166 Glucose transporter 88.79% 98.75%
CHEMBL4208 P20618 Proteasome component C5 88.53% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.92% 96.00%
CHEMBL1255126 O15151 Protein Mdm4 87.20% 90.20%
CHEMBL4422 O14842 Free fatty acid receptor 1 86.80% 93.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.54% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.44% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.03% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.07% 92.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.97% 86.33%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.44% 93.81%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.79% 95.89%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.40% 90.24%

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.
Pellia epiphylla
Plectranthus parviflorus
Plectranthus purpuratus
Plectranthus strigosus

Cross-Links

Top
PubChem 162980539
LOTUS LTS0070400
wikiData Q105282488